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

C16H19N3O3S — CID 125054382

IUPAC(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN([C@H](C(=O)NCc1ccccn1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H19N3O3S/c1-19(23(2,21)22)15(13-8-4-3-5-9-13)16(20)18-12-14-10-6-7-11-17-14/h3-11,15H,12H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyTYJJTJRHSMORGP-HNNXBMFYSA-N
MW333.41 g/mol
LogP1.33
Rot. Bonds6

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

(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 125054382) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID125054382
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN([C@H](C(=O)NCc1ccccn1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H19N3O3S/c1-19(23(2,21)22)15(13-8-4-3-5-9-13)16(20)18-12-14-10-6-7-11-17-14/h3-11,15H,12H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyTYJJTJRHSMORGP-HNNXBMFYSA-N
XLogP1.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133237544
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999
(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100773773
2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133237311
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
CID 125053712
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
2-phenyl-3-pyridin-4-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410530
N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133178688
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 125072960
(2S)-N-[3-(N-methylanilino)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125058040

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (CID 125054382) is (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is CN([C@H](C(=O)NCc1ccccn1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is TYJJTJRHSMORGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-19(23(2,21)22)15(13-8-4-3-5-9-13)16(20)18-12-14-10-6-7-11-17-14/h3-11,15H,12H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.33, 6 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-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 125054382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).