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

C23H24N2O4S — CID 24504234

IUPACN-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1
InChIInChI=1S/C23H24N2O4S/c1-28-18-9-11-19(12-10-18)29-14-13-24-22(26)20(16-17-6-3-2-4-7-17)25-23(27)21-8-5-15-30-21/h2-12,15,20H,13-14,16H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1
InChIKeyFGSWSYWIZDLYEP-FQEVSTJZSA-N
MW424.52 g/mol
LogP3.29
Rot. Bonds10

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

N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 24504234) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID24504234
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1
InChIInChI=1S/C23H24N2O4S/c1-28-18-9-11-19(12-10-18)29-14-13-24-22(26)20(16-17-6-3-2-4-7-17)25-23(27)21-8-5-15-30-21/h2-12,15,20H,13-14,16H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1
InChIKeyFGSWSYWIZDLYEP-FQEVSTJZSA-N
XLogP3.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 32933462
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55548169
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
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4001085
N-[1-[2-(4-fluorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55597798
N-[1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24682463
benzyl N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]carbamate
CID 2973242
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 41104628

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 24504234) is N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is COc1ccc(OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is FGSWSYWIZDLYEP-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-28-18-9-11-19(12-10-18)29-14-13-24-22(26)20(16-17-6-3-2-4-7-17)25-23(27)21-8-5-15-30-21/h2-12,15,20H,13-14,16H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24504234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).