2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide

C23H26N2OS — CID 8867924

IUPAC2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
SMILESCc1ccc([C@H](NCC(=O)NC[C@H](C)c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C23H26N2OS/c1-17-10-12-20(13-11-17)23(21-9-6-14-27-21)25-16-22(26)24-15-18(2)19-7-4-3-5-8-19/h3-14,18,23,25H,15-16H2,1-2H3,(H,24,26)/t18-,23-/m0/s1
InChIKeyDSJHBISJRAZOBJ-MBSDFSHPSA-N
MW378.54 g/mol
LogP4.66
Rot. Bonds8

About 2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide

2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 8867924) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID8867924
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
SMILESCc1ccc([C@H](NCC(=O)NC[C@H](C)c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C23H26N2OS/c1-17-10-12-20(13-11-17)23(21-9-6-14-27-21)25-16-22(26)24-15-18(2)19-7-4-3-5-8-19/h3-14,18,23,25H,15-16H2,1-2H3,(H,24,26)/t18-,23-/m0/s1
InChIKeyDSJHBISJRAZOBJ-MBSDFSHPSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867294
N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869471
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-[2-(2-ethylanilino)-2-oxoethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869119
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
N-(methylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052211
2-[[(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8996919
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8996916
N-(2-bromophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051902
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9052357

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide (CID 8867924) is 2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide is Cc1ccc([C@H](NCC(=O)NC[C@H](C)c2ccccc2)c2cccs2)cc1.
What is the InChIKey of 2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is DSJHBISJRAZOBJ-MBSDFSHPSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-17-10-12-20(13-11-17)23(21-9-6-14-27-21)25-16-22(26)24-15-18(2)19-7-4-3-5-8-19/h3-14,18,23,25H,15-16H2,1-2H3,(H,24,26)/t18-,23-/m0/s1.
What are the key properties of 2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide?
2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 378.54 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 8867924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).