N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C19H14N6O2S — CID 9450376

IUPACN-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H14N6O2S/c26-18(21-15-7-9-16(10-8-15)25-12-20-23-24-25)13-3-5-14(6-4-13)22-19(27)17-2-1-11-28-17/h1-12H,(H,21,26)(H,22,27)
InChIKeyKMAHFJFJIKSPRO-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.23
Rot. Bonds5

About N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 9450376) has the molecular formula C19H14N6O2S and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID9450376
Molecular FormulaC19H14N6O2S
Molecular Weight390.43 g/mol
Exact Mass390.09
IUPAC NameN-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H14N6O2S/c26-18(21-15-7-9-16(10-8-15)25-12-20-23-24-25)13-3-5-14(6-4-13)22-19(27)17-2-1-11-28-17/h1-12H,(H,21,26)(H,22,27)
InChIKeyKMAHFJFJIKSPRO-UHFFFAOYSA-N
XLogP3.23
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34548469
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17011174
N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55813793
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
4-(tetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149957
N-[3-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37121591
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37122573

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 9450376) is N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is KMAHFJFJIKSPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2S/c26-18(21-15-7-9-16(10-8-15)25-12-20-23-24-25)13-3-5-14(6-4-13)22-19(27)17-2-1-11-28-17/h1-12H,(H,21,26)(H,22,27).
What are the key properties of N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 390.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9450376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).