4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide

C15H15N5OS — CID 17419224

IUPAC4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)sc1C
InChIInChI=1S/C15H15N5OS/c1-3-11-8-14(22-10(11)2)15(21)17-12-4-6-13(7-5-12)20-9-16-18-19-20/h4-9H,3H2,1-2H3,(H,17,21)
InChIKeyRTJFKCNJWPCBRQ-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.85
Rot. Bonds4

About 4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide

4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 17419224) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID17419224
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)sc1C
InChIInChI=1S/C15H15N5OS/c1-3-11-8-14(22-10(11)2)15(21)17-12-4-6-13(7-5-12)20-9-16-18-19-20/h4-9H,3H2,1-2H3,(H,17,21)
InChIKeyRTJFKCNJWPCBRQ-UHFFFAOYSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9450376
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852084
ethyl 3-nitro-5-[[4-(tetrazol-1-yl)phenyl]carbamoyl]benzoate
CID 26729054
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide (CID 17419224) is 4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide is CCc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is RTJFKCNJWPCBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-3-11-8-14(22-10(11)2)15(21)17-12-4-6-13(7-5-12)20-9-16-18-19-20/h4-9H,3H2,1-2H3,(H,17,21).
What are the key properties of 4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide?
4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17419224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).