(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide

C18H23N3O3S — CID 110348930

IUPAC(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide
SMILESCc1ccccc1S(=O)(=O)N[C@H](C(=O)NCc1cccnc1)C(C)C
InChIInChI=1S/C18H23N3O3S/c1-13(2)17(18(22)20-12-15-8-6-10-19-11-15)21-25(23,24)16-9-5-4-7-14(16)3/h4-11,13,17,21H,12H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyLTAUGJILYJOXHZ-KRWDZBQOSA-N
MW361.47 g/mol
LogP2.01
Rot. Bonds7

About (2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide

(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 110348930) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide
PubChem CID110348930
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide
SMILESCc1ccccc1S(=O)(=O)N[C@H](C(=O)NCc1cccnc1)C(C)C
InChIInChI=1S/C18H23N3O3S/c1-13(2)17(18(22)20-12-15-8-6-10-19-11-15)21-25(23,24)16-9-5-4-7-14(16)3/h4-11,13,17,21H,12H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyLTAUGJILYJOXHZ-KRWDZBQOSA-N
XLogP2.01
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-chlorophenyl)sulfonylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348931
(2S)-2-(dimethylsulfamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348899
3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965295
(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
CID 110348925
(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347969
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 18114734
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347926
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-2-(quinolin-8-ylsulfonylamino)butanamide
CID 92708584
1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 36941048
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
(2R)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537318

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of (2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide (CID 110348930) is (2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide is Cc1ccccc1S(=O)(=O)N[C@H](C(=O)NCc1cccnc1)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is LTAUGJILYJOXHZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13(2)17(18(22)20-12-15-8-6-10-19-11-15)21-25(23,24)16-9-5-4-7-14(16)3/h4-11,13,17,21H,12H2,1-3H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide?
(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 361.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 110348930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).