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

C22H26N2O2S2 — CID 66907634

IUPACN-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCc1c(N(CCN2CCCCC2)S(=O)(=O)c2ccccc2)sc2ccccc12
InChIInChI=1S/C22H26N2O2S2/c1-18-20-12-6-7-13-21(20)27-22(18)24(17-16-23-14-8-3-9-15-23)28(25,26)19-10-4-2-5-11-19/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKeyBHSMBEMOQHIYRB-UHFFFAOYSA-N
MW414.60 g/mol
LogP4.89
Rot. Bonds6

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

N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 66907634) has the molecular formula C22H26N2O2S2 and a molecular weight of 414.60 g/mol. Its IUPAC name is N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID66907634
Molecular FormulaC22H26N2O2S2
Molecular Weight414.60 g/mol
Exact Mass414.14
IUPAC NameN-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCc1c(N(CCN2CCCCC2)S(=O)(=O)c2ccccc2)sc2ccccc12
InChIInChI=1S/C22H26N2O2S2/c1-18-20-12-6-7-13-21(20)27-22(18)24(17-16-23-14-8-3-9-15-23)28(25,26)19-10-4-2-5-11-19/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKeyBHSMBEMOQHIYRB-UHFFFAOYSA-N
XLogP4.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide (CID 66907634) is N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide is Cc1c(N(CCN2CCCCC2)S(=O)(=O)c2ccccc2)sc2ccccc12.
What is the InChIKey of N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is BHSMBEMOQHIYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S2/c1-18-20-12-6-7-13-21(20)27-22(18)24(17-16-23-14-8-3-9-15-23)28(25,26)19-10-4-2-5-11-19/h2,4-7,10-13H,3,8-9,14-17H2,1H3.
What are the key properties of N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 414.60 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 66907634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).