N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C23H24N2O4S — CID 55548169

IUPACN-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1
InChIInChI=1S/C23H24N2O4S/c1-28-18-10-11-20(29-2)17(14-18)15-24-22(26)19(13-16-7-4-3-5-8-16)25-23(27)21-9-6-12-30-21/h3-12,14,19H,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWCCXDQQQIWGMEI-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.42
Rot. Bonds9

About N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 55548169) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID55548169
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1
InChIInChI=1S/C23H24N2O4S/c1-28-18-10-11-20(29-2)17(14-18)15-24-22(26)19(13-16-7-4-3-5-8-16)25-23(27)21-9-6-12-30-21/h3-12,14,19H,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWCCXDQQQIWGMEI-UHFFFAOYSA-N
XLogP3.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46542128
N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24504234
N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2458151
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 32933462
N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 41104628
N-[1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24682463
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46643139
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 55548169) is N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is COc1ccc(OC)c(CNC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1.
What is the InChIKey of N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is WCCXDQQQIWGMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-28-18-10-11-20(29-2)17(14-18)15-24-22(26)19(13-16-7-4-3-5-8-16)25-23(27)21-9-6-12-30-21/h3-12,14,19H,13,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55548169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).