(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

C17H21N3O3S — CID 110347926

IUPAC(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C17H21N3O3S/c1-12-6-7-16(9-13(12)2)24(22,23)20-14(3)17(21)19-11-15-5-4-8-18-10-15/h4-10,14,20H,11H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyXIVKWWCRPGPLCD-AWEZNQCLSA-N
MW347.44 g/mol
LogP1.68
Rot. Bonds6

About (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 110347926) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID110347926
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C17H21N3O3S/c1-12-6-7-16(9-13(12)2)24(22,23)20-14(3)17(21)19-11-15-5-4-8-18-10-15/h4-10,14,20H,11H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyXIVKWWCRPGPLCD-AWEZNQCLSA-N
XLogP1.68
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347968
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347969
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044
(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide
CID 110348930
(2R)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537318
1-[4-(3,4-dimethylphenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea;formamide
CID 174859063
2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28561695
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
(2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide
CID 9041047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (CID 110347926) is (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C.
What is the InChIKey of (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is XIVKWWCRPGPLCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-6-7-16(9-13(12)2)24(22,23)20-14(3)17(21)19-11-15-5-4-8-18-10-15/h4-10,14,20H,11H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 110347926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).