N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide

C23H26N2OS — CID 8862218

IUPACN-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CN[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C23H26N2OS/c1-18(14-15-19-9-4-2-5-10-19)25-22(26)17-24-23(21-13-8-16-27-21)20-11-6-3-7-12-20/h2-13,16,18,23-24H,14-15,17H2,1H3,(H,25,26)/t18-,23+/m1/s1
InChIKeyCWOIUGQASIAFDS-JPYJTQIMSA-N
MW378.54 g/mol
LogP4.56
Rot. Bonds9

About N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide

N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide (PubChem CID 8862218) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
PubChem CID8862218
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CN[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C23H26N2OS/c1-18(14-15-19-9-4-2-5-10-19)25-22(26)17-24-23(21-13-8-16-27-21)20-11-6-3-7-12-20/h2-13,16,18,23-24H,14-15,17H2,1H3,(H,25,26)/t18-,23+/m1/s1
InChIKeyCWOIUGQASIAFDS-JPYJTQIMSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862203
2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7516085
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8862238
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8862202
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866227
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9052357
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide (CID 8862218) is N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide is C[C@H](CCc1ccccc1)NC(=O)CN[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The InChIKey is CWOIUGQASIAFDS-JPYJTQIMSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-18(14-15-19-9-4-2-5-10-19)25-22(26)17-24-23(21-13-8-16-27-21)20-11-6-3-7-12-20/h2-13,16,18,23-24H,14-15,17H2,1H3,(H,25,26)/t18-,23+/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide has a molecular weight of 378.54 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 8862218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).