N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C17H21NO2S2 — CID 90496104

IUPACN-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2cccs2)C2CC2)c1
InChIInChI=1S/C17H21NO2S2/c1-13-5-6-14(2)17(12-13)22(19,20)18(15-7-8-15)10-9-16-4-3-11-21-16/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyNMQUCYKMXMETOC-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.76
Rot. Bonds6

About N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 90496104) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID90496104
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC NameN-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2cccs2)C2CC2)c1
InChIInChI=1S/C17H21NO2S2/c1-13-5-6-14(2)17(12-13)22(19,20)18(15-7-8-15)10-9-16-4-3-11-21-16/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyNMQUCYKMXMETOC-UHFFFAOYSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496096
3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496126
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094
N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 71781441
N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496140
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496109
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 79113665
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
N-cyclopropyl-2,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775906
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 90496104) is N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(CCc2cccs2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is NMQUCYKMXMETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-13-5-6-14(2)17(12-13)22(19,20)18(15-7-8-15)10-9-16-4-3-11-21-16/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 335.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90496104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).