N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide

C22H19NO2S2 — CID 66907585

IUPACN-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C22H19NO2S2/c24-27(25,20-12-5-2-6-13-20)23(16-15-18-9-3-1-4-10-18)22-17-19-11-7-8-14-21(19)26-22/h1-14,17H,15-16H2
InChIKeyWSYRFAQAMKMXGR-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.34
Rot. Bonds6

About N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide

N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 66907585) has the molecular formula C22H19NO2S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID66907585
Molecular FormulaC22H19NO2S2
Molecular Weight393.53 g/mol
Exact Mass393.09
IUPAC NameN-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C22H19NO2S2/c24-27(25,20-12-5-2-6-13-20)23(16-15-18-9-3-1-4-10-18)22-17-19-11-7-8-14-21(19)26-22/h1-14,17H,15-16H2
InChIKeyWSYRFAQAMKMXGR-UHFFFAOYSA-N
XLogP5.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide
CID 66907160
N-(3-bromo-1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 66907122
N-(1-benzothiophen-2-yl)-N-(2-cyclopropylethyl)-4-(5-oxo-1,2,4-thiadiazolidin-3-yl)benzenesulfonamide
CID 77215394
N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
CID 166448666
4-acetyl-N-(1-benzothiophen-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 66907688
[1-benzothiophen-2-ylsulfonyl(2-phenylethyl)amino]methyl-(4-nitrophenoxy)phosphinic acid
CID 91196162
N-phenyl-N-(2-phenylethyl)methanesulfonamide
CID 60602422
3-(benzenesulfonyl)-N-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 87701025
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide (CID 66907585) is N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCc1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is WSYRFAQAMKMXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S2/c24-27(25,20-12-5-2-6-13-20)23(16-15-18-9-3-1-4-10-18)22-17-19-11-7-8-14-21(19)26-22/h1-14,17H,15-16H2.
What are the key properties of N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 393.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 66907585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).