N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide

C25H29NO2S — CID 163217184

IUPACN-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H29NO2S/c1-19-10-16-23(17-11-19)29(27,28)26-18-24(20-8-6-5-7-9-20)21-12-14-22(15-13-21)25(2,3)4/h5-17,24,26H,18H2,1-4H3
InChIKeyLXDSGQXNJXBIQJ-UHFFFAOYSA-N
MW407.58 g/mol
LogP5.40
Rot. Bonds6

About N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide

N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide (PubChem CID 163217184) has the molecular formula C25H29NO2S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
PubChem CID163217184
Molecular FormulaC25H29NO2S
Molecular Weight407.58 g/mol
Exact Mass407.19
IUPAC NameN-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H29NO2S/c1-19-10-16-23(17-11-19)29(27,28)26-18-24(20-8-6-5-7-9-20)21-12-14-22(15-13-21)25(2,3)4/h5-17,24,26H,18H2,1-4H3
InChIKeyLXDSGQXNJXBIQJ-UHFFFAOYSA-N
XLogP5.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylphenyl)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 163217185
N-[(2S)-2-(4-tert-butylphenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide
CID 139204992
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide
CID 86197769
4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide
CID 162540052
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 42994892
4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662803
N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
CID 63733559
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide (CID 163217184) is N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is LXDSGQXNJXBIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2S/c1-19-10-16-23(17-11-19)29(27,28)26-18-24(20-8-6-5-7-9-20)21-12-14-22(15-13-21)25(2,3)4/h5-17,24,26H,18H2,1-4H3.
What are the key properties of N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide?
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 407.58 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 163217184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).