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

C23H31N3O3S — CID 125072960

IUPAC(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCN([C@H](C(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O3S/c1-25(30(2,28)29)22(19-11-5-3-6-12-19)23(27)24-17-20-13-7-8-14-21(20)18-26-15-9-4-10-16-26/h3,5-8,11-14,22H,4,9-10,15-18H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyGNWMBEQZVPOVCF-QFIPXVFZSA-N
MW429.59 g/mol
LogP2.92
Rot. Bonds8

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

(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 125072960) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID125072960
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCN([C@H](C(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O3S/c1-25(30(2,28)29)22(19-11-5-3-6-12-19)23(27)24-17-20-13-7-8-14-21(20)18-26-15-9-4-10-16-26/h3,5-8,11-14,22H,4,9-10,15-18H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyGNWMBEQZVPOVCF-QFIPXVFZSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 125074946
(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100773773
2-[methyl(methylsulfonyl)amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 133190535
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 52523009
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]-2-phenylacetamide
CID 125058003
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166189
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]acetamide
CID 125072002
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 125054382
N-methyl-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 133161882
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166276
2-(2-fluoro-N-methylsulfonylanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133204254

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 125072960) is (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is CN([C@H](C(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is GNWMBEQZVPOVCF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-25(30(2,28)29)22(19-11-5-3-6-12-19)23(27)24-17-20-13-7-8-14-21(20)18-26-15-9-4-10-16-26/h3,5-8,11-14,22H,4,9-10,15-18H2,1-2H3,(H,24,27)/t22-/m0/s1.
What are the key properties of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 429.59 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 125072960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).