N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide

C20H21NO2S2 — CID 66906820

IUPACN-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
SMILESCc1c(N(CCC2CC2)S(=O)(=O)c2ccccc2)sc2ccccc12
InChIInChI=1S/C20H21NO2S2/c1-15-18-9-5-6-10-19(18)24-20(15)21(14-13-16-11-12-16)25(22,23)17-7-3-2-4-8-17/h2-10,16H,11-14H2,1H3
InChIKeyOXIACWRTKAJYDC-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.21
Rot. Bonds6

About N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide

N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide (PubChem CID 66906820) has the molecular formula C20H21NO2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
PubChem CID66906820
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC NameN-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
SMILESCc1c(N(CCC2CC2)S(=O)(=O)c2ccccc2)sc2ccccc12
InChIInChI=1S/C20H21NO2S2/c1-15-18-9-5-6-10-19(18)24-20(15)21(14-13-16-11-12-16)25(22,23)17-7-3-2-4-8-17/h2-10,16H,11-14H2,1H3
InChIKeyOXIACWRTKAJYDC-UHFFFAOYSA-N
XLogP5.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide (CID 66906820) is N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide is Cc1c(N(CCC2CC2)S(=O)(=O)c2ccccc2)sc2ccccc12.
What is the InChIKey of N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
The InChIKey is OXIACWRTKAJYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S2/c1-15-18-9-5-6-10-19(18)24-20(15)21(14-13-16-11-12-16)25(22,23)17-7-3-2-4-8-17/h2-10,16H,11-14H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide has a molecular weight of 371.53 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide is sourced from PubChem (CID 66906820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).