3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide

C15H19N3O3S2 — CID 20965295

IUPAC3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1cccnc1
InChIInChI=1S/C15H19N3O3S2/c1-11(2)14(18-23(20,21)13-6-4-8-22-13)15(19)17-10-12-5-3-7-16-9-12/h3-9,11,14,18H,10H2,1-2H3,(H,17,19)
InChIKeyYWWBJVIDMAHGGC-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.76
Rot. Bonds7

About 3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide

3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 20965295) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID20965295
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1cccnc1
InChIInChI=1S/C15H19N3O3S2/c1-11(2)14(18-23(20,21)13-6-4-8-22-13)15(19)17-10-12-5-3-7-16-9-12/h3-9,11,14,18H,10H2,1-2H3,(H,17,19)
InChIKeyYWWBJVIDMAHGGC-UHFFFAOYSA-N
XLogP1.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide
CID 110348930
(2S)-2-(dimethylsulfamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348899
(2S)-2-[(2-chlorophenyl)sulfonylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348931
(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
CID 110348925
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 42006334
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 24563572
N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118880
(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088658
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide (CID 20965295) is 3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for 3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for 3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1cccnc1.
What is the InChIKey of 3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is YWWBJVIDMAHGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-11(2)14(18-23(20,21)13-6-4-8-22-13)15(19)17-10-12-5-3-7-16-9-12/h3-9,11,14,18H,10H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 353.47 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 20965295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).