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

C16H19N3O4S — CID 24538493

IUPAC(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-12(16(20)18-11-13-4-3-9-17-10-13)19-24(21,22)15-7-5-14(23-2)6-8-15/h3-10,12,19H,11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyOQDSUMMOTFAHHR-LBPRGKRZSA-N
MW349.41 g/mol
LogP1.07
Rot. Bonds7

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

(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 24538493) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID24538493
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-12(16(20)18-11-13-4-3-9-17-10-13)19-24(21,22)15-7-5-14(23-2)6-8-15/h3-10,12,19H,11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyOQDSUMMOTFAHHR-LBPRGKRZSA-N
XLogP1.07
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347926
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 124649118
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347968
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 55938698
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9208122
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347969
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 24625428
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 133236325

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (CID 24538493) is (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is OQDSUMMOTFAHHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12(16(20)18-11-13-4-3-9-17-10-13)19-24(21,22)15-7-5-14(23-2)6-8-15/h3-10,12,19H,11H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 349.41 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 24538493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).