N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide

C20H18Cl2N2O4S — CID 3392099

IUPACN-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)s1
InChIInChI=1S/C20H18Cl2N2O4S/c1-10(2)17-8-13(18(23)25)20(29-17)24-19(26)16-6-4-12(28-16)9-27-15-5-3-11(21)7-14(15)22/h3-8,10H,9H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeySRGKBXGAAHZCLS-UHFFFAOYSA-N
MW453.35 g/mol
LogP5.70
Rot. Bonds7

About N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide

N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 3392099) has the molecular formula C20H18Cl2N2O4S and a molecular weight of 453.35 g/mol. Its IUPAC name is N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID3392099
Molecular FormulaC20H18Cl2N2O4S
Molecular Weight453.35 g/mol
Exact Mass452.04
IUPAC NameN-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)s1
InChIInChI=1S/C20H18Cl2N2O4S/c1-10(2)17-8-13(18(23)25)20(29-17)24-19(26)16-6-4-12(28-16)9-27-15-5-3-11(21)7-14(15)22/h3-8,10H,9H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeySRGKBXGAAHZCLS-UHFFFAOYSA-N
XLogP5.70
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.35
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412480
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
propan-2-yl 5-carbamoyl-2-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19461825
ethyl 2-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19463739
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 4269855
methyl 2-[[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2208967
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 126211190
5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide
CID 163405653

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (CID 3392099) is N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)s1.
What is the InChIKey of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is SRGKBXGAAHZCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4S/c1-10(2)17-8-13(18(23)25)20(29-17)24-19(26)16-6-4-12(28-16)9-27-15-5-3-11(21)7-14(15)22/h3-8,10H,9H2,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 453.35 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 3392099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).