N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide

C17H21N3O5S3 — CID 24581162

IUPACN,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1
InChIInChI=1S/C17H21N3O5S3/c1-19(2)28(24,25)17-10-7-14(26-17)12-18-27(22,23)15-8-5-13(6-9-15)20-11-3-4-16(20)21/h5-10,18H,3-4,11-12H2,1-2H3
InChIKeyAYYSPNWYEHVCNL-UHFFFAOYSA-N
MW443.57 g/mol
LogP1.60
Rot. Bonds7

About N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide

N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide (PubChem CID 24581162) has the molecular formula C17H21N3O5S3 and a molecular weight of 443.57 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
PubChem CID24581162
Molecular FormulaC17H21N3O5S3
Molecular Weight443.57 g/mol
Exact Mass443.06
IUPAC NameN,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1
InChIInChI=1S/C17H21N3O5S3/c1-19(2)28(24,25)17-10-7-14(26-17)12-18-27(22,23)15-8-5-13(6-9-15)20-11-3-4-16(20)21/h5-10,18H,3-4,11-12H2,1-2H3
InChIKeyAYYSPNWYEHVCNL-UHFFFAOYSA-N
XLogP1.60
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide 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

5-[[(4-fluorophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581110
N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581151
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56587289
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110401176
N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 95045248
5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581138
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99599483
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 16673900
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26540045

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide (CID 24581162) is N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1.
What is the InChIKey of N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide?
The InChIKey is AYYSPNWYEHVCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S3/c1-19(2)28(24,25)17-10-7-14(26-17)12-18-27(22,23)15-8-5-13(6-9-15)20-11-3-4-16(20)21/h5-10,18H,3-4,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide?
N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide has a molecular weight of 443.57 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24581162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).