2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C20H18N2O2S2 — CID 9302359

IUPAC2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C20H18N2O2S2/c21-15-18-9-4-5-11-20(18)26(23,24)22(16-19-10-6-14-25-19)13-12-17-7-2-1-3-8-17/h1-11,14H,12-13,16H2
InChIKeyVDIKBIKMIWJJIB-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.05
Rot. Bonds7

About 2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9302359) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9302359
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC Name2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C20H18N2O2S2/c21-15-18-9-4-5-11-20(18)26(23,24)22(16-19-10-6-14-25-19)13-12-17-7-2-1-3-8-17/h1-11,14H,12-13,16H2
InChIKeyVDIKBIKMIWJJIB-UHFFFAOYSA-N
XLogP4.05
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801780
2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8799711
1-N-butan-2-yl-4-N-(2-phenylethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 25037546
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084948
2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
CID 63646594
N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 154764366
N-[(4-bromothiophen-2-yl)methyl]-2-cyano-N-methylbenzenesulfonamide
CID 47318833
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437971
4-[benzyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1169521
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90495790

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9302359) is 2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)N(CCc1ccccc1)Cc1cccs1.
What is the InChIKey of 2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is VDIKBIKMIWJJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c21-15-18-9-4-5-11-20(18)26(23,24)22(16-19-10-6-14-25-19)13-12-17-7-2-1-3-8-17/h1-11,14H,12-13,16H2.
What are the key properties of 2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9302359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).