N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide

C20H25NO2S — CID 10043080

IUPACN-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC/C(=C\c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C20H25NO2S/c1-16-10-12-19(13-11-16)24(22,23)21-15-18(20(2,3)4)14-17-8-6-5-7-9-17/h5-14,21H,15H2,1-4H3/b18-14+
InChIKeyRQFSHURDVOOWFG-NBVRZTHBSA-N
MW343.49 g/mol
LogP4.40
Rot. Bonds5

About N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide

N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide (PubChem CID 10043080) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
PubChem CID10043080
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC/C(=C\c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C20H25NO2S/c1-16-10-12-19(13-11-16)24(22,23)21-15-18(20(2,3)4)14-17-8-6-5-7-9-17/h5-14,21H,15H2,1-4H3/b18-14+
InChIKeyRQFSHURDVOOWFG-NBVRZTHBSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate
CID 24756036
N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 10065175
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
CID 24951292
N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
N-(2,2-dimethyl-3-oxopropyl)-4-methylbenzenesulfonamide
CID 11402591
4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide
CID 71512775
N-[(E)-1-hydroxy-2-methyl-3-phenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 135033918
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 12034641
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide (CID 10043080) is N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC/C(=C\c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide?
The InChIKey is RQFSHURDVOOWFG-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-16-10-12-19(13-11-16)24(22,23)21-15-18(20(2,3)4)14-17-8-6-5-7-9-17/h5-14,21H,15H2,1-4H3/b18-14+.
What are the key properties of N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide?
N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide has a molecular weight of 343.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10043080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).