N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C16H19NO2S2 — CID 90496096

IUPACN-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CCc2cccs2)C2CC2)c1
InChIInChI=1S/C16H19NO2S2/c1-13-4-2-6-16(12-13)21(18,19)17(14-7-8-14)10-9-15-5-3-11-20-15/h2-6,11-12,14H,7-10H2,1H3
InChIKeyMZWOBNINWHGVQE-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.45
Rot. Bonds6

About N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 90496096) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID90496096
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC NameN-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CCc2cccs2)C2CC2)c1
InChIInChI=1S/C16H19NO2S2/c1-13-4-2-6-16(12-13)21(18,19)17(14-7-8-14)10-9-15-5-3-11-20-15/h2-6,11-12,14H,7-10H2,1H3
InChIKeyMZWOBNINWHGVQE-UHFFFAOYSA-N
XLogP3.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094
3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496126
N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496104
N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 71781441
3-nitro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90611161
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
CID 28708333
N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496140
1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 90496128

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 90496096) is N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)N(CCc2cccs2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is MZWOBNINWHGVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-13-4-2-6-16(12-13)21(18,19)17(14-7-8-14)10-9-15-5-3-11-20-15/h2-6,11-12,14H,7-10H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 321.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90496096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).