2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide

C63H58Cl3N15O13S5 — CID 173236287

IUPAC2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.COc1cccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c1.NC(=O)Nc1sc(-c2ccc(Cl)c(Cl)c2)cc1C(N)=O.NC(=O)Nc1sc(-c2ccc(Cl)cc2)cc1C(N)=O.NC(=O)Nc1sc(-c2cccc(CO)c2)cc1C(N)=O
InChIInChI=1S/3C13H13N3O3S.C12H9Cl2N3O2S.C12H10ClN3O2S/c1-19-8-4-2-7(3-5-8)10-6-9(11(14)17)12(20-10)16-13(15)18;1-19-8-4-2-3-7(5-8)10-6-9(11(14)17)12(20-10)16-13(15)18;14-11(18)9-5-10(20-12(9)16-13(15)19)8-3-1-2-7(4-8)6-17;13-7-2-1-5(3-8(7)14)9-4-6(10(15)18)11(20-9)17-12(16)19;13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h2*2-6H,1H3,(H2,14,17)(H3,15,16,18);1-5,17H,6H2,(H2,14,18)(H3,15,16,19);1-4H,(H2,15,18)(H3,16,17,19);1-5H,(H2,14,17)(H3,15,16,18)
InChIKeyLTWDMXNJOFSNBI-UHFFFAOYSA-N
MW1499.94 g/mol
LogP11.49
Rot. Bonds18

About 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide

2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide (PubChem CID 173236287) has the molecular formula C63H58Cl3N15O13S5 and a molecular weight of 1499.94 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
PubChem CID173236287
Molecular FormulaC63H58Cl3N15O13S5
Molecular Weight1499.94 g/mol
Exact Mass1497.20
IUPAC Name2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.COc1cccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c1.NC(=O)Nc1sc(-c2ccc(Cl)c(Cl)c2)cc1C(N)=O.NC(=O)Nc1sc(-c2ccc(Cl)cc2)cc1C(N)=O.NC(=O)Nc1sc(-c2cccc(CO)c2)cc1C(N)=O
InChIInChI=1S/3C13H13N3O3S.C12H9Cl2N3O2S.C12H10ClN3O2S/c1-19-8-4-2-7(3-5-8)10-6-9(11(14)17)12(20-10)16-13(15)18;1-19-8-4-2-3-7(5-8)10-6-9(11(14)17)12(20-10)16-13(15)18;14-11(18)9-5-10(20-12(9)16-13(15)19)8-3-1-2-7(4-8)6-17;13-7-2-1-5(3-8(7)14)9-4-6(10(15)18)11(20-9)17-12(16)19;13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h2*2-6H,1H3,(H2,14,17)(H3,15,16,18);1-5,17H,6H2,(H2,14,18)(H3,15,16,19);1-4H,(H2,15,18)(H3,16,17,19);1-5H,(H2,14,17)(H3,15,16,18)
InChIKeyLTWDMXNJOFSNBI-UHFFFAOYSA-N
XLogP11.49
TPSA529.74 Ų
H-Bond Donors16
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001499.94
LogP ≤ 511.49
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1018

Analyze 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide with MolForge

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Related Compounds

2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 4826880
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
CID 11560615
2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide
CID 44560752
(3S)-2-tert-butyl-3-[[2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 69270422
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 174506569
2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 173235959
2-(carbamoylamino)-5-[4-[[(3-fluorophenyl)methylamino]methyl]phenyl]thiophene-3-carboxamide
CID 68711421
(2S)-2-[[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-3-phenylpropanoic acid
CID 59273159
(2S)-2-[2-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]ethylamino]-2-phenylacetic acid
CID 67372536
[3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]urea
CID 11494523
2-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-3-carboxamide
CID 10317409
cyclopentyl (2S)-2-[[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-4-methylpentanoate
CID 24946973

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide (CID 173236287) is 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide is COc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.COc1cccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c1.NC(=O)Nc1sc(-c2ccc(Cl)c(Cl)c2)cc1C(N)=O.NC(=O)Nc1sc(-c2ccc(Cl)cc2)cc1C(N)=O.NC(=O)Nc1sc(-c2cccc(CO)c2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide?
The InChIKey is LTWDMXNJOFSNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H13N3O3S.C12H9Cl2N3O2S.C12H10ClN3O2S/c1-19-8-4-2-7(3-5-8)10-6-9(11(14)17)12(20-10)16-13(15)18;1-19-8-4-2-3-7(5-8)10-6-9(11(14)17)12(20-10)16-13(15)18;14-11(18)9-5-10(20-12(9)16-13(15)19)8-3-1-2-7(4-8)6-17;13-7-2-1-5(3-8(7)14)9-4-6(10(15)18)11(20-9)17-12(16)19;13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h2*2-6H,1H3,(H2,14,17)(H3,15,16,18);1-5,17H,6H2,(H2,14,18)(H3,15,16,19);1-4H,(H2,15,18)(H3,16,17,19);1-5H,(H2,14,17)(H3,15,16,18).
What are the key properties of 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide?
2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide has a molecular weight of 1499.94 g/mol, XLogP of 11.49, 18 rotatable bonds, 16 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 173236287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).