5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide

C13H11ClN2O3S — CID 15740358

IUPAC5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)NC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C13H11ClN2O3S/c1-19-9-4-2-3-8(7-9)15-13(18)16-12(17)10-5-6-11(14)20-10/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyQBYWNDOSZKBKSD-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.37
Rot. Bonds3

About 5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide

5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide (PubChem CID 15740358) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
PubChem CID15740358
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)NC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C13H11ClN2O3S/c1-19-9-4-2-3-8(7-9)15-13(18)16-12(17)10-5-6-11(14)20-10/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyQBYWNDOSZKBKSD-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
4-(5-chlorothiophen-2-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxobutanamide
CID 55369935
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146330
2-amino-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 108869162
5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 47222257
1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7966014
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide (CID 15740358) is 5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide is COc1cccc(NC(=O)NC(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide?
The InChIKey is QBYWNDOSZKBKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-19-9-4-2-3-8(7-9)15-13(18)16-12(17)10-5-6-11(14)20-10/h2-7H,1H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide?
5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide has a molecular weight of 310.76 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 15740358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).