(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C21H27N3O5S2 — CID 125060490

IUPAC(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCN([C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H27N3O5S2/c1-23(30(2,26)27)20(17-9-5-3-6-10-17)21(25)22-18-11-13-19(14-12-18)31(28,29)24-15-7-4-8-16-24/h3,5-6,9-14,20H,4,7-8,15-16H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyQQRXWXCBKGHZFU-FQEVSTJZSA-N
MW465.60 g/mol
LogP2.43
Rot. Bonds7

About (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 125060490) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID125060490
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC Name(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCN([C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H27N3O5S2/c1-23(30(2,26)27)20(17-9-5-3-6-10-17)21(25)22-18-11-13-19(14-12-18)31(28,29)24-15-7-4-8-16-24/h3,5-6,9-14,20H,4,7-8,15-16H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyQQRXWXCBKGHZFU-FQEVSTJZSA-N
XLogP2.43
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 133166793
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide
CID 2210421
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]acetamide
CID 125072002
(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133210950
2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2928700
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 133187649
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 1007928
(2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9110381
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 125060490) is (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is CN([C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is QQRXWXCBKGHZFU-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-23(30(2,26)27)20(17-9-5-3-6-10-17)21(25)22-18-11-13-19(14-12-18)31(28,29)24-15-7-4-8-16-24/h3,5-6,9-14,20H,4,7-8,15-16H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 465.60 g/mol, XLogP of 2.43, 7 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]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 125060490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).