(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C20H26N2O4S — CID 125054925

IUPAC(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCC[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-18(15-11-13-17(26-3)14-12-15)21-20(23)19(22(2)27(4,24)25)16-9-7-6-8-10-16/h6-14,18-19H,5H2,1-4H3,(H,21,23)/t18-,19-/m0/s1
InChIKeyXRKMREHVVSVRTQ-OALUTQOASA-N
MW390.51 g/mol
LogP2.90
Rot. Bonds8

About (2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 125054925) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID125054925
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCC[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-18(15-11-13-17(26-3)14-12-15)21-20(23)19(22(2)27(4,24)25)16-9-7-6-8-10-16/h6-14,18-19H,5H2,1-4H3,(H,21,23)/t18-,19-/m0/s1
InChIKeyXRKMREHVVSVRTQ-OALUTQOASA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133162154
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125057945
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide
CID 125054362
(2R)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100529007
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92681615
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92681618
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 125058049
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132853

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 125054925) is (2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is CC[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is XRKMREHVVSVRTQ-OALUTQOASA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-18(15-11-13-17(26-3)14-12-15)21-20(23)19(22(2)27(4,24)25)16-9-7-6-8-10-16/h6-14,18-19H,5H2,1-4H3,(H,21,23)/t18-,19-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 390.51 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 125054925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).