4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide

C13H13N3O2S — CID 61118215

IUPAC4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cccc(C(N)=O)c2)cc1N
InChIInChI=1S/C13H13N3O2S/c1-7-10(14)6-11(19-7)13(18)16-9-4-2-3-8(5-9)12(15)17/h2-6H,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXHADHPIUWVKKCG-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.99
Rot. Bonds3

About 4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide

4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 61118215) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
PubChem CID61118215
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cccc(C(N)=O)c2)cc1N
InChIInChI=1S/C13H13N3O2S/c1-7-10(14)6-11(19-7)13(18)16-9-4-2-3-8(5-9)12(15)17/h2-6H,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXHADHPIUWVKKCG-UHFFFAOYSA-N
XLogP1.99
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate
CID 61117526
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
4-amino-N-(3-chloro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61091195
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide
CID 47114852
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 115375794
2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 71936304
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
4-amino-N-(4-chloro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61093919

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide (CID 61118215) is 4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)Nc2cccc(C(N)=O)c2)cc1N.
What is the InChIKey of 4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is XHADHPIUWVKKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-7-10(14)6-11(19-7)13(18)16-9-4-2-3-8(5-9)12(15)17/h2-6H,14H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide?
4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61118215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).