N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide

C23H24N2O5S — CID 36670866

IUPACN-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O5S/c1-28-18-13-16(14-19(29-2)21(18)30-3)24-22(26)17(12-15-8-5-4-6-9-15)25-23(27)20-10-7-11-31-20/h4-11,13-14,17H,12H2,1-3H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyUUZYLHODTVPLAN-KRWDZBQOSA-N
MW440.52 g/mol
LogP3.75
Rot. Bonds9

About N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide (PubChem CID 36670866) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
PubChem CID36670866
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O5S/c1-28-18-13-16(14-19(29-2)21(18)30-3)24-22(26)17(12-15-8-5-4-6-9-15)25-23(27)20-10-7-11-31-20/h4-11,13-14,17H,12H2,1-3H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyUUZYLHODTVPLAN-KRWDZBQOSA-N
XLogP3.75
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 30475898
(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92502327
N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide
CID 41170779
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55548169
N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42917748
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55334887
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
N-[1-(3-methyl-4-pyridin-3-yloxyanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 60582304
N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2428943
N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24504234
N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24635520
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide (CID 36670866) is N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide is COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc(OC)c1OC.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is UUZYLHODTVPLAN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-28-18-13-16(14-19(29-2)21(18)30-3)24-22(26)17(12-15-8-5-4-6-9-15)25-23(27)20-10-7-11-31-20/h4-11,13-14,17H,12H2,1-3H3,(H,24,26)(H,25,27)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 36670866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).