N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C18H23NO3S2 — CID 90496140

IUPACN-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)N(CCc2cccs2)C2CC2)c1
InChIInChI=1S/C18H23NO3S2/c1-3-14-6-9-17(22-2)18(13-14)24(20,21)19(15-7-8-15)11-10-16-5-4-12-23-16/h4-6,9,12-13,15H,3,7-8,10-11H2,1-2H3
InChIKeySMQKOJHHFBYZIF-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.71
Rot. Bonds8

About N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide

N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 90496140) has the molecular formula C18H23NO3S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID90496140
Molecular FormulaC18H23NO3S2
Molecular Weight365.52 g/mol
Exact Mass365.11
IUPAC NameN-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)N(CCc2cccs2)C2CC2)c1
InChIInChI=1S/C18H23NO3S2/c1-3-14-6-9-17(22-2)18(13-14)24(20,21)19(15-7-8-15)11-10-16-5-4-12-23-16/h4-6,9,12-13,15H,3,7-8,10-11H2,1-2H3
InChIKeySMQKOJHHFBYZIF-UHFFFAOYSA-N
XLogP3.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 26354535
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496096
3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496109
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496126
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
1-N-cyclohexyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-methyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1168573
1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 90496128

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 90496140) is N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)N(CCc2cccs2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is SMQKOJHHFBYZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S2/c1-3-14-6-9-17(22-2)18(13-14)24(20,21)19(15-7-8-15)11-10-16-5-4-12-23-16/h4-6,9,12-13,15H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 365.52 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90496140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).