2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide

C14H16N4O2S — CID 44560752

IUPAC2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide
SMILESCNCc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C14H16N4O2S/c1-17-7-8-2-4-9(5-3-8)11-6-10(12(15)19)13(21-11)18-14(16)20/h2-6,17H,7H2,1H3,(H2,15,19)(H3,16,18,20)
InChIKeyPGQAXYKKNVIDMC-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.72
Rot. Bonds5

About 2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide (PubChem CID 44560752) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide
PubChem CID44560752
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide
SMILESCNCc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C14H16N4O2S/c1-17-7-8-2-4-9(5-3-8)11-6-10(12(15)19)13(21-11)18-14(16)20/h2-6,17H,7H2,1H3,(H2,15,19)(H3,16,18,20)
InChIKeyPGQAXYKKNVIDMC-UHFFFAOYSA-N
XLogP1.72
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Tpca-1
CID 9903786
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
3-(Carbamoylamino)-5-Phenylthiophene-2-Carboxamide
CID 10220851
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-((4-(1,1-Dimethylethyl)benzoyl)amino)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxamide
CID 984977
2-(Carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide
CID 25137992
2-(Carbamoylamino)-5-[2-(2-fluorophenyl)ethynyl]thiophene-3-carboxamide
CID 25137993
2-(Carbamoylamino)-5-[2-(2-methylphenyl)ethynyl]thiophene-3-carboxamide
CID 25137995
6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 134693782
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide
CID 1442554
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide (CID 44560752) is 2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide is CNCc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is PGQAXYKKNVIDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-17-7-8-2-4-9(5-3-8)11-6-10(12(15)19)13(21-11)18-14(16)20/h2-6,17H,7H2,1H3,(H2,15,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 44560752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).