N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide

C17H21N3O3S — CID 141287527

IUPACN-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide
SMILESCCCC(=O)N(C)c1ccc(CNS(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-3-5-17(21)20(2)15-9-7-14(8-10-15)12-19-24(22,23)16-6-4-11-18-13-16/h4,6-11,13,19H,3,5,12H2,1-2H3
InChIKeyBZTXRPDXVDBUMM-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.32
Rot. Bonds7

About N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide

N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide (PubChem CID 141287527) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide
PubChem CID141287527
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide
SMILESCCCC(=O)N(C)c1ccc(CNS(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-3-5-17(21)20(2)15-9-7-14(8-10-15)12-19-24(22,23)16-6-4-11-18-13-16/h4,6-11,13,19H,3,5,12H2,1-2H3
InChIKeyBZTXRPDXVDBUMM-UHFFFAOYSA-N
XLogP2.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide
CID 50914019
N-propylpyridine-3-sulfonamide
CID 43258995
N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119584043
N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
CID 3823851
N-ethyl-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064866
N,N-dipropyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060934
N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 91625946
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266
N-(1H-indol-5-ylmethyl)pyridine-3-sulfonamide
CID 169029432
N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060938
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide?
The IUPAC name of N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide (CID 141287527) is N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide.
What is the SMILES notation for N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide?
The canonical SMILES for N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide is CCCC(=O)N(C)c1ccc(CNS(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide?
The InChIKey is BZTXRPDXVDBUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-5-17(21)20(2)15-9-7-14(8-10-15)12-19-24(22,23)16-6-4-11-18-13-16/h4,6-11,13,19H,3,5,12H2,1-2H3.
What are the key properties of N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide?
N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide has a molecular weight of 347.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide is sourced from PubChem (CID 141287527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).