N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide

C19H25N3O3S2 — CID 55989493

IUPACN,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H25N3O3S2/c1-21(2)19(23)16-6-3-5-15(13-16)14-22-10-8-17(9-11-22)20-27(24,25)18-7-4-12-26-18/h3-7,12-13,17,20H,8-11,14H2,1-2H3
InChIKeyQVFLKGWFMJOAOQ-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.39
Rot. Bonds6

About N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide

N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide (PubChem CID 55989493) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide
PubChem CID55989493
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H25N3O3S2/c1-21(2)19(23)16-6-3-5-15(13-16)14-22-10-8-17(9-11-22)20-27(24,25)18-7-4-12-26-18/h3-7,12-13,17,20H,8-11,14H2,1-2H3
InChIKeyQVFLKGWFMJOAOQ-UHFFFAOYSA-N
XLogP2.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548585
N-cyclopropyl-N-ethyl-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55648993
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide
CID 51130056
N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide
CID 166406523
3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide
CID 38171192
N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55479745
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044
N-[1-(4-ethylphenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55474200
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120776525
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 43918658

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide (CID 55989493) is N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide is CN(C)C(=O)c1cccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide?
The InChIKey is QVFLKGWFMJOAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-21(2)19(23)16-6-3-5-15(13-16)14-22-10-8-17(9-11-22)20-27(24,25)18-7-4-12-26-18/h3-7,12-13,17,20H,8-11,14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide?
N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 55989493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).