N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C17H18N4O3S2 — CID 31843072

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H18N4O3S2/c1-20(11-13-10-18-21(2)12-13)17(22)14-5-7-15(8-6-14)19-26(23,24)16-4-3-9-25-16/h3-10,12,19H,11H2,1-2H3
InChIKeyQQKJKLPLOMTKPX-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.55
Rot. Bonds6

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 31843072) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID31843072
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H18N4O3S2/c1-20(11-13-10-18-21(2)12-13)17(22)14-5-7-15(8-6-14)19-26(23,24)16-4-3-9-25-16/h3-10,12,19H,11H2,1-2H3
InChIKeyQQKJKLPLOMTKPX-UHFFFAOYSA-N
XLogP2.55
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55347513
4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844154
N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 26555339
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843876
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
N-methyl-3-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55787151
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
CID 95129803
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 134037051
N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 104640906

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 31843072) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is QQKJKLPLOMTKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-20(11-13-10-18-21(2)12-13)17(22)14-5-7-15(8-6-14)19-26(23,24)16-4-3-9-25-16/h3-10,12,19H,11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 31843072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).