N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide

C21H21NOS — CID 7536278

IUPACN-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)sc1C
InChIInChI=1S/C21H21NOS/c1-3-16-14-19(24-15(16)2)21(23)22-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,20H,3H2,1-2H3,(H,22,23)
InChIKeyDZTBUJQLSORCIM-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.14
Rot. Bonds5

About N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide

N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 7536278) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID7536278
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)sc1C
InChIInChI=1S/C21H21NOS/c1-3-16-14-19(24-15(16)2)21(23)22-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,20H,3H2,1-2H3,(H,22,23)
InChIKeyDZTBUJQLSORCIM-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid
CID 103804649
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 32730275
N-(2-hydroxy-1-phenylethyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 63182272
(2R)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975412
(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylpentanoic acid
CID 61173794
methyl (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxypropanoate
CID 93038369
4-ethyl-5-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 32933112
4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 55454281
4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide
CID 9417913
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 54991565
4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide
CID 37315774

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide (CID 7536278) is N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)sc1C.
What is the InChIKey of N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is DZTBUJQLSORCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-3-16-14-19(24-15(16)2)21(23)22-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,20H,3H2,1-2H3,(H,22,23).
What are the key properties of N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide?
N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 7536278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).