N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C24H26N2O2S — CID 112762250

IUPACN-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1
InChIInChI=1S/C24H26N2O2S/c1-3-18-11-13-20(14-12-18)17(2)25-23(27)21(16-19-8-5-4-6-9-19)26-24(28)22-10-7-15-29-22/h4-15,17,21H,3,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyANZZNBNQCKSJLX-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.53
Rot. Bonds8

About N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 112762250) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID112762250
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC NameN-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1
InChIInChI=1S/C24H26N2O2S/c1-3-18-11-13-20(14-12-18)17(2)25-23(27)21(16-19-8-5-4-6-9-19)26-24(28)22-10-7-15-29-22/h4-15,17,21H,3,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyANZZNBNQCKSJLX-UHFFFAOYSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-2-carboxamide
CID 8500551
(2S)-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 120615307
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 32933462
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 46790485
N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2428943
N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55847538
N-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9437374
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 112762250) is N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CCc1ccc(C(C)NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ANZZNBNQCKSJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-3-18-11-13-20(14-12-18)17(2)25-23(27)21(16-19-8-5-4-6-9-19)26-24(28)22-10-7-15-29-22/h4-15,17,21H,3,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 112762250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).