N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide

C13H12N2O3S — CID 177168105

IUPACN-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cccs2)c1C(N)=O
InChIInChI=1S/C13H12N2O3S/c1-18-9-5-2-4-8(11(9)12(14)16)15-13(17)10-6-3-7-19-10/h2-7H,1H3,(H2,14,16)(H,15,17)
InChIKeyALVGVTLTJDOYJA-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.11
Rot. Bonds4

About N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide

N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 177168105) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide
PubChem CID177168105
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cccs2)c1C(N)=O
InChIInChI=1S/C13H12N2O3S/c1-18-9-5-2-4-8(11(9)12(14)16)15-13(17)10-6-3-7-19-10/h2-7H,1H3,(H2,14,16)(H,15,17)
InChIKeyALVGVTLTJDOYJA-UHFFFAOYSA-N
XLogP2.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
CID 107805757
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
CID 39184898
(2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 2623709
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 82121621
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2,3-dimethylphenyl)butanediamide
CID 1139091
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-(3-carbamoyl-2-phenylphenyl)thiophene-2-carboxamide
CID 174504895
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
CID 5442635
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4304532
N-[(E)-1-(3,4-dimethoxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 6062175

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide (CID 177168105) is N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide is COc1cccc(NC(=O)c2cccs2)c1C(N)=O.
What is the InChIKey of N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is ALVGVTLTJDOYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-18-9-5-2-4-8(11(9)12(14)16)15-13(17)10-6-3-7-19-10/h2-7H,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide?
N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 177168105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).