N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

C22H25N3O3S2 — CID 4875494

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(c3cccs3)N(C)C)c2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-16-9-11-18(12-10-16)24-30(27,28)19-7-4-6-17(14-19)22(26)23-15-20(25(2)3)21-8-5-13-29-21/h4-14,20,24H,15H2,1-3H3,(H,23,26)
InChIKeyKQPBNJAGQZODGY-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.89
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 4875494) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID4875494
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(c3cccs3)N(C)C)c2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-16-9-11-18(12-10-16)24-30(27,28)19-7-4-6-17(14-19)22(26)23-15-20(25(2)3)21-8-5-13-29-21/h4-14,20,24H,15H2,1-3H3,(H,23,26)
InChIKeyKQPBNJAGQZODGY-UHFFFAOYSA-N
XLogP3.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 4875494) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(c3cccs3)N(C)C)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is KQPBNJAGQZODGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-16-9-11-18(12-10-16)24-30(27,28)19-7-4-6-17(14-19)22(26)23-15-20(25(2)3)21-8-5-13-29-21/h4-14,20,24H,15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 443.59 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4875494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).