2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide

C13H13N3O2S — CID 61377118

IUPAC2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
SMILESCNc1ccccc1C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C13H13N3O2S/c1-15-10-5-3-2-4-8(10)12(18)16-13-9(11(14)17)6-7-19-13/h2-7,15H,1H3,(H2,14,17)(H,16,18)
InChIKeySGSJAXGWUJNHGP-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.14
Rot. Bonds4

About 2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide

2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 61377118) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
PubChem CID61377118
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
SMILESCNc1ccccc1C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C13H13N3O2S/c1-15-10-5-3-2-4-8(10)12(18)16-13-9(11(14)17)6-7-19-13/h2-7,15H,1H3,(H2,14,17)(H,16,18)
InChIKeySGSJAXGWUJNHGP-UHFFFAOYSA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide
CID 2117879
methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
CID 61376688
2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
CID 81003369
3-amino-N-(3-carbamoylthiophen-2-yl)pyridine-2-carboxamide
CID 104742045
2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
CID 43470594
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
CID 80550057
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide
CID 18558971
2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide
CID 2553970
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide (CID 61377118) is 2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide is CNc1ccccc1C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is SGSJAXGWUJNHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-15-10-5-3-2-4-8(10)12(18)16-13-9(11(14)17)6-7-19-13/h2-7,15H,1H3,(H2,14,17)(H,16,18).
What are the key properties of 2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide?
2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 61377118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).