N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

C16H13ClN6O2S — CID 55805183

IUPACN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)c2sccc2-n2cnnn2)cc1Cl
InChIInChI=1S/C16H13ClN6O2S/c17-12-7-10(3-4-11(12)15(24)19-9-1-2-9)20-16(25)14-13(5-6-26-14)23-8-18-21-22-23/h3-9H,1-2H2,(H,19,24)(H,20,25)
InChIKeyITPSWWJMKOJNOJ-UHFFFAOYSA-N
MW388.84 g/mol
LogP2.52
Rot. Bonds5

About N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 55805183) has the molecular formula C16H13ClN6O2S and a molecular weight of 388.84 g/mol. Its IUPAC name is N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID55805183
Molecular FormulaC16H13ClN6O2S
Molecular Weight388.84 g/mol
Exact Mass388.05
IUPAC NameN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)c2sccc2-n2cnnn2)cc1Cl
InChIInChI=1S/C16H13ClN6O2S/c17-12-7-10(3-4-11(12)15(24)19-9-1-2-9)20-16(25)14-13(5-6-26-14)23-8-18-21-22-23/h3-9H,1-2H2,(H,19,24)(H,20,25)
InChIKeyITPSWWJMKOJNOJ-UHFFFAOYSA-N
XLogP2.52
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55805558
N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 86858047
N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 62491426
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55966312
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 87008522
2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide
CID 55673413
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 60553003
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55983520
5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 43474473
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 55804728
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 110903617
N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 119513985

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 55805183) is N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(NC1CC1)c1ccc(NC(=O)c2sccc2-n2cnnn2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is ITPSWWJMKOJNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6O2S/c17-12-7-10(3-4-11(12)15(24)19-9-1-2-9)20-16(25)14-13(5-6-26-14)23-8-18-21-22-23/h3-9H,1-2H2,(H,19,24)(H,20,25).
What are the key properties of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 388.84 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55805183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).