5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide

C14H15N3O2S — CID 79614087

IUPAC5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
SMILESCc1c(NCc2cc(C(N)=O)cs2)cccc1C(N)=O
InChIInChI=1S/C14H15N3O2S/c1-8-11(14(16)19)3-2-4-12(8)17-6-10-5-9(7-20-10)13(15)18/h2-5,7,17H,6H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyUATBTRMWZNWFHD-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.87
Rot. Bonds5

About 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide

5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide (PubChem CID 79614087) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
PubChem CID79614087
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
SMILESCc1c(NCc2cc(C(N)=O)cs2)cccc1C(N)=O
InChIInChI=1S/C14H15N3O2S/c1-8-11(14(16)19)3-2-4-12(8)17-6-10-5-9(7-20-10)13(15)18/h2-5,7,17H,6H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyUATBTRMWZNWFHD-UHFFFAOYSA-N
XLogP1.87
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
2-methyl-3-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758134
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008
3-[(4-bromothiophen-2-yl)methylamino]-2-methylbenzoic acid
CID 43737378
5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700
3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
CID 66385546
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide (CID 79614087) is 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide is Cc1c(NCc2cc(C(N)=O)cs2)cccc1C(N)=O.
What is the InChIKey of 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide?
The InChIKey is UATBTRMWZNWFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-11(14(16)19)3-2-4-12(8)17-6-10-5-9(7-20-10)13(15)18/h2-5,7,17H,6H2,1H3,(H2,15,18)(H2,16,19).
What are the key properties of 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide?
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).