N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide

C22H22N2O3S — CID 32933462

IUPACN-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NCCOc1ccccc1)c1cccs1
InChIInChI=1S/C22H22N2O3S/c25-21(23-13-14-27-18-10-5-2-6-11-18)19(16-17-8-3-1-4-9-17)24-22(26)20-12-7-15-28-20/h1-12,15,19H,13-14,16H2,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyWPZLHKMDOGZMHW-IBGZPJMESA-N
MW394.50 g/mol
LogP3.28
Rot. Bonds9

About N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 32933462) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID32933462
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NCCOc1ccccc1)c1cccs1
InChIInChI=1S/C22H22N2O3S/c25-21(23-13-14-27-18-10-5-2-6-11-18)19(16-17-8-3-1-4-9-17)24-22(26)20-12-7-15-28-20/h1-12,15,19H,13-14,16H2,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyWPZLHKMDOGZMHW-IBGZPJMESA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24504234
N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
benzyl N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]carbamate
CID 2973242
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[1-[2-(4-fluorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55597798
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4001085
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55548169
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
N-[(2S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24552177
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 32933462) is N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide is O=C(N[C@@H](Cc1ccccc1)C(=O)NCCOc1ccccc1)c1cccs1.
What is the InChIKey of N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is WPZLHKMDOGZMHW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-21(23-13-14-27-18-10-5-2-6-11-18)19(16-17-8-3-1-4-9-17)24-22(26)20-12-7-15-28-20/h1-12,15,19H,13-14,16H2,(H,23,25)(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 32933462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).