N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide

C28H26N2O2S — CID 46046309

IUPACN-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)Cc2ccc(N(Cc3ccccc3C)C(=O)c3cccs3)cc2)c1
InChIInChI=1S/C28H26N2O2S/c1-20-7-5-10-24(17-20)29-27(31)18-22-12-14-25(15-13-22)30(28(32)26-11-6-16-33-26)19-23-9-4-3-8-21(23)2/h3-17H,18-19H2,1-2H3,(H,29,31)
InChIKeyCIFQWZULUPHXAJ-UHFFFAOYSA-N
MW454.60 g/mol
LogP6.39
Rot. Bonds7

About N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide

N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 46046309) has the molecular formula C28H26N2O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
PubChem CID46046309
Molecular FormulaC28H26N2O2S
Molecular Weight454.60 g/mol
Exact Mass454.17
IUPAC NameN-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)Cc2ccc(N(Cc3ccccc3C)C(=O)c3cccs3)cc2)c1
InChIInChI=1S/C28H26N2O2S/c1-20-7-5-10-24(17-20)29-27(31)18-22-12-14-25(15-13-22)30(28(32)26-11-6-16-33-26)19-23-9-4-3-8-21(23)2/h3-17H,18-19H2,1-2H3,(H,29,31)
InChIKeyCIFQWZULUPHXAJ-UHFFFAOYSA-N
XLogP6.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852782
N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 46045961
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46052687
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46046577
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852784
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052660
N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46046062
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46046591
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052688
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]thiophene-2-carboxamide
CID 93329370
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046328
N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 46045963

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide (CID 46046309) is N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide is Cc1cccc(NC(=O)Cc2ccc(N(Cc3ccccc3C)C(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is CIFQWZULUPHXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2S/c1-20-7-5-10-24(17-20)29-27(31)18-22-12-14-25(15-13-22)30(28(32)26-11-6-16-33-26)19-23-9-4-3-8-21(23)2/h3-17H,18-19H2,1-2H3,(H,29,31).
What are the key properties of N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46046309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).