N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C19H13ClN6O2S — CID 34548469

IUPACN-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H13ClN6O2S/c20-15-7-6-12(9-16(15)23-19(28)17-5-2-8-29-17)18(27)22-13-3-1-4-14(10-13)26-11-21-24-25-26/h1-11H,(H,22,27)(H,23,28)
InChIKeyWGZOISWEAVHIIJ-UHFFFAOYSA-N
MW424.87 g/mol
LogP3.88
Rot. Bonds5

About N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 34548469) has the molecular formula C19H13ClN6O2S and a molecular weight of 424.87 g/mol. Its IUPAC name is N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID34548469
Molecular FormulaC19H13ClN6O2S
Molecular Weight424.87 g/mol
Exact Mass424.05
IUPAC NameN-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H13ClN6O2S/c20-15-7-6-12(9-16(15)23-19(28)17-5-2-8-29-17)18(27)22-13-3-1-4-14(10-13)26-11-21-24-25-26/h1-11H,(H,22,27)(H,23,28)
InChIKeyWGZOISWEAVHIIJ-UHFFFAOYSA-N
XLogP3.88
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55813793
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9450376
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37122573
ethyl 3-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]benzoate
CID 34201771
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
CID 50776835
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-[2-chloro-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55822443

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 34548469) is N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is WGZOISWEAVHIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O2S/c20-15-7-6-12(9-16(15)23-19(28)17-5-2-8-29-17)18(27)22-13-3-1-4-14(10-13)26-11-21-24-25-26/h1-11H,(H,22,27)(H,23,28).
What are the key properties of N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 424.87 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 34548469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).