N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C21H24N2O3S2 — CID 66906751

IUPACN-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1c(N(CCN2CCOCC2)S(=O)(=O)c2ccccc2)sc2ccccc12
InChIInChI=1S/C21H24N2O3S2/c1-17-19-9-5-6-10-20(19)27-21(17)23(12-11-22-13-15-26-16-14-22)28(24,25)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyYIODXAUPKQFSHL-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.74
Rot. Bonds6

About N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide

N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 66906751) has the molecular formula C21H24N2O3S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID66906751
Molecular FormulaC21H24N2O3S2
Molecular Weight416.57 g/mol
Exact Mass416.12
IUPAC NameN-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1c(N(CCN2CCOCC2)S(=O)(=O)c2ccccc2)sc2ccccc12
InChIInChI=1S/C21H24N2O3S2/c1-17-19-9-5-6-10-20(19)27-21(17)23(12-11-22-13-15-26-16-14-22)28(24,25)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyYIODXAUPKQFSHL-UHFFFAOYSA-N
XLogP3.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 66906751) is N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Cc1c(N(CCN2CCOCC2)S(=O)(=O)c2ccccc2)sc2ccccc12.
What is the InChIKey of N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is YIODXAUPKQFSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S2/c1-17-19-9-5-6-10-20(19)27-21(17)23(12-11-22-13-15-26-16-14-22)28(24,25)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3.
What are the key properties of N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 416.57 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 66906751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).