4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide

C15H19N3O3S2 — CID 18136265

IUPAC4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
SMILESCN(CCCC(=O)NCc1ccncc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H19N3O3S2/c1-18(23(20,21)15-5-3-11-22-15)10-2-4-14(19)17-12-13-6-8-16-9-7-13/h3,5-9,11H,2,4,10,12H2,1H3,(H,17,19)
InChIKeyLSAXKZRKPXYPOG-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.86
Rot. Bonds8

About 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide

4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 18136265) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
PubChem CID18136265
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
SMILESCN(CCCC(=O)NCc1ccncc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H19N3O3S2/c1-18(23(20,21)15-5-3-11-22-15)10-2-4-14(19)17-12-13-6-8-16-9-7-13/h3,5-9,11H,2,4,10,12H2,1H3,(H,17,19)
InChIKeyLSAXKZRKPXYPOG-UHFFFAOYSA-N
XLogP1.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 18138818
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24681923
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 18160350
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206
N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 17440887
4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53288641
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 134011784
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265604
N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596037
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide (CID 18136265) is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide is CN(CCCC(=O)NCc1ccncc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is LSAXKZRKPXYPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-18(23(20,21)15-5-3-11-22-15)10-2-4-14(19)17-12-13-6-8-16-9-7-13/h3,5-9,11H,2,4,10,12H2,1H3,(H,17,19).
What are the key properties of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide?
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 353.47 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 18136265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).