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

C20H26N2O5S2 — CID 125054362

IUPAC(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide
SMILESCC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O5S2/c1-5-18(15-11-13-17(14-12-15)28(3,24)25)21-20(23)19(22(2)29(4,26)27)16-9-7-6-8-10-16/h6-14,18-19H,5H2,1-4H3,(H,21,23)/t18-,19+/m1/s1
InChIKeySPLNKSROZZVCEO-MOPGFXCFSA-N
MW438.57 g/mol
LogP2.29
Rot. Bonds8

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

(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide (PubChem CID 125054362) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is (2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide
PubChem CID125054362
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC Name(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide
SMILESCC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O5S2/c1-5-18(15-11-13-17(14-12-15)28(3,24)25)21-20(23)19(22(2)29(4,26)27)16-9-7-6-8-10-16/h6-14,18-19H,5H2,1-4H3,(H,21,23)/t18-,19+/m1/s1
InChIKeySPLNKSROZZVCEO-MOPGFXCFSA-N
XLogP2.29
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054925
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
(2R)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100529007
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132667426
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide
CID 125059689
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide
CID 92673390
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
3-benzylsulfanyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 132659492

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide (CID 125054362) is (2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide is CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide?
The InChIKey is SPLNKSROZZVCEO-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-5-18(15-11-13-17(14-12-15)28(3,24)25)21-20(23)19(22(2)29(4,26)27)16-9-7-6-8-10-16/h6-14,18-19H,5H2,1-4H3,(H,21,23)/t18-,19+/m1/s1.
What are the key properties of (2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide?
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide has a molecular weight of 438.57 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide is sourced from PubChem (CID 125054362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).