4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide

C18H23N3O3S2 — CID 46385457

IUPAC4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide
SMILESCc1sc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H23N3O3S2/c1-13-16(12-17(25-13)26(23,24)21-10-4-5-11-21)19-18(22)14-6-8-15(9-7-14)20(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyCYTSGASFKBSKAZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.16
Rot. Bonds5

About 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide

4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide (PubChem CID 46385457) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide
PubChem CID46385457
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide
SMILESCc1sc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H23N3O3S2/c1-13-16(12-17(25-13)26(23,24)21-10-4-5-11-21)19-18(22)14-6-8-15(9-7-14)20(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyCYTSGASFKBSKAZ-UHFFFAOYSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-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-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101340
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
[2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium
CID 171625366
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
CID 108744182
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 43876196
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910
4-(azepan-1-ylsulfonyl)-N-[4-(dimethylamino)-3-methylphenyl]benzamide
CID 31909404
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-nitrobenzamide
CID 4820711

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide (CID 46385457) is 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide is Cc1sc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide?
The InChIKey is CYTSGASFKBSKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-13-16(12-17(25-13)26(23,24)21-10-4-5-11-21)19-18(22)14-6-8-15(9-7-14)20(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22).
What are the key properties of 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide?
4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide is sourced from PubChem (CID 46385457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).