(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C25H28N2OS — CID 9136339

IUPAC(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCCCc1ccc([C@@H](N[C@H](C(=O)NC2CC2)c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C25H28N2OS/c1-2-7-18-11-13-20(14-12-18)23(22-10-6-17-29-22)27-24(19-8-4-3-5-9-19)25(28)26-21-15-16-21/h3-6,8-14,17,21,23-24,27H,2,7,15-16H2,1H3,(H,26,28)/t23-,24+/m1/s1
InChIKeyYZMMTMORHIGEOJ-RPWUZVMVSA-N
MW404.58 g/mol
LogP5.40
Rot. Bonds9

About (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide

(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 9136339) has the molecular formula C25H28N2OS and a molecular weight of 404.58 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID9136339
Molecular FormulaC25H28N2OS
Molecular Weight404.58 g/mol
Exact Mass404.19
IUPAC Name(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCCCc1ccc([C@@H](N[C@H](C(=O)NC2CC2)c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C25H28N2OS/c1-2-7-18-11-13-20(14-12-18)23(22-10-6-17-29-22)27-24(19-8-4-3-5-9-19)25(28)26-21-15-16-21/h3-6,8-14,17,21,23-24,27H,2,7,15-16H2,1H3,(H,26,28)/t23-,24+/m1/s1
InChIKeyYZMMTMORHIGEOJ-RPWUZVMVSA-N
XLogP5.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.58
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-cyclopropyl-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051615
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769306
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136254
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136258
(2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide
CID 8769458
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299
methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate
CID 9136375
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
2-[[phenyl(thiophen-2-yl)methyl]amino]butanoic acid
CID 115352761
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8756132
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
4-[[(2R)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]amino]benzamide
CID 9136265

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 9136339) is (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide is CCCc1ccc([C@@H](N[C@H](C(=O)NC2CC2)c2ccccc2)c2cccs2)cc1.
What is the InChIKey of (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is YZMMTMORHIGEOJ-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H28N2OS/c1-2-7-18-11-13-20(14-12-18)23(22-10-6-17-29-22)27-24(19-8-4-3-5-9-19)25(28)26-21-15-16-21/h3-6,8-14,17,21,23-24,27H,2,7,15-16H2,1H3,(H,26,28)/t23-,24+/m1/s1.
What are the key properties of (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 404.58 g/mol, XLogP of 5.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 9136339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).