4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide

C18H23N3O3S2 — CID 126851459

IUPAC4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1
InChIInChI=1S/C18H23N3O3S2/c1-20(2)26(23,24)17-5-3-15(4-6-17)18(22)19-16-7-9-21(12-16)11-14-8-10-25-13-14/h3-6,8,10,13,16H,7,9,11-12H2,1-2H3,(H,19,22)
InChIKeyWUFAKZUMMNZHKC-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.00
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide

4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide (PubChem CID 126851459) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide
PubChem CID126851459
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1
InChIInChI=1S/C18H23N3O3S2/c1-20(2)26(23,24)17-5-3-15(4-6-17)18(22)19-16-7-9-21(12-16)11-14-8-10-25-13-14/h3-6,8,10,13,16H,7,9,11-12H2,1-2H3,(H,19,22)
InChIKeyWUFAKZUMMNZHKC-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide 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

4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
CID 42907504
4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
CID 126851463
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 164635055
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25328833
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 126855428
2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide
CID 126853834
3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960567
N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 75518432
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide (CID 126851459) is 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccsc3)C2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide?
The InChIKey is WUFAKZUMMNZHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-20(2)26(23,24)17-5-3-15(4-6-17)18(22)19-16-7-9-21(12-16)11-14-8-10-25-13-14/h3-6,8,10,13,16H,7,9,11-12H2,1-2H3,(H,19,22).
What are the key properties of 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide?
4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 126851459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).