N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide

C25H23NOS — CID 110498472

IUPACN-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide
SMILESCCN(C(=O)c1sc2ccccc2c1Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H23NOS/c1-3-26(20-9-5-4-6-10-20)25(27)24-22(17-19-15-13-18(2)14-16-19)21-11-7-8-12-23(21)28-24/h4-16H,3,17H2,1-2H3
InChIKeyNINBITXMOUSNSV-UHFFFAOYSA-N
MW385.53 g/mol
LogP6.47
Rot. Bonds5

About N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide

N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 110498472) has the molecular formula C25H23NOS and a molecular weight of 385.53 g/mol. Its IUPAC name is N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide
PubChem CID110498472
Molecular FormulaC25H23NOS
Molecular Weight385.53 g/mol
Exact Mass385.15
IUPAC NameN-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide
SMILESCCN(C(=O)c1sc2ccccc2c1Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H23NOS/c1-3-26(20-9-5-4-6-10-20)25(27)24-22(17-19-15-13-18(2)14-16-19)21-11-7-8-12-23(21)28-24/h4-16H,3,17H2,1-2H3
InChIKeyNINBITXMOUSNSV-UHFFFAOYSA-N
XLogP6.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.53
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methylphenyl)methyl]-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 110498452
3-[(4-methylphenyl)methyl]-N-propyl-1-benzothiophene-2-carboxamide
CID 110496960
N-(1-hydroxybutan-2-yl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110497011
3-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 110496991
N-(2,6-difluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500743
N-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500728
N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500611
N-(2,5-dimethylphenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500598
3-[[3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carbonyl]amino]benzoic acid
CID 110500632
N-(5-bromo-2-pyridinyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500759
4-methyl-3-[[3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carbonyl]amino]benzoic acid
CID 110500716
N-(2-bromo-4-methylphenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500750

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide (CID 110498472) is N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide is CCN(C(=O)c1sc2ccccc2c1Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is NINBITXMOUSNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NOS/c1-3-26(20-9-5-4-6-10-20)25(27)24-22(17-19-15-13-18(2)14-16-19)21-11-7-8-12-23(21)28-24/h4-16H,3,17H2,1-2H3.
What are the key properties of N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide?
N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-methylphenyl)methyl]-N-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110498472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).