N-carbamoyl-3-chlorothiophene-2-carboxamide

C6H5ClN2O2S — CID 80642165

IUPACN-carbamoyl-3-chlorothiophene-2-carboxamide
SMILESNC(=O)NC(=O)c1sccc1Cl
InChIInChI=1S/C6H5ClN2O2S/c7-3-1-2-12-4(3)5(10)9-6(8)11/h1-2H,(H3,8,9,10,11)
InChIKeyRJLPYXBULJTQII-UHFFFAOYSA-N
MW204.64 g/mol
LogP1.21
Rot. Bonds1

About N-carbamoyl-3-chlorothiophene-2-carboxamide

N-carbamoyl-3-chlorothiophene-2-carboxamide (PubChem CID 80642165) has the molecular formula C6H5ClN2O2S and a molecular weight of 204.64 g/mol. Its IUPAC name is N-carbamoyl-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-3-chlorothiophene-2-carboxamide
PubChem CID80642165
Molecular FormulaC6H5ClN2O2S
Molecular Weight204.64 g/mol
Exact Mass203.98
IUPAC NameN-carbamoyl-3-chlorothiophene-2-carboxamide
SMILESNC(=O)NC(=O)c1sccc1Cl
InChIInChI=1S/C6H5ClN2O2S/c7-3-1-2-12-4(3)5(10)9-6(8)11/h1-2H,(H3,8,9,10,11)
InChIKeyRJLPYXBULJTQII-UHFFFAOYSA-N
XLogP1.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.64
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
CID 80644124
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide
CID 80645165
N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645311
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
(2R)-4-amino-2-[(3-chlorothiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821326
4-amino-2-[(3-chlorothiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 80645014
3-chloro-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 80641291
N-(3-amino-4-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644063
N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
CID 80643926
3-[(3-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 80645417
3-chloro-N-cyclopentyloxythiophene-2-carboxamide
CID 83235964

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-carbamoyl-3-chlorothiophene-2-carboxamide (CID 80642165) is N-carbamoyl-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-carbamoyl-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-carbamoyl-3-chlorothiophene-2-carboxamide is NC(=O)NC(=O)c1sccc1Cl.
What is the InChIKey of N-carbamoyl-3-chlorothiophene-2-carboxamide?
The InChIKey is RJLPYXBULJTQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2S/c7-3-1-2-12-4(3)5(10)9-6(8)11/h1-2H,(H3,8,9,10,11).
What are the key properties of N-carbamoyl-3-chlorothiophene-2-carboxamide?
N-carbamoyl-3-chlorothiophene-2-carboxamide has a molecular weight of 204.64 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 80642165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).