N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide

C22H29NO3S — CID 6636276

IUPACN-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCc2ccccc2)CC(=O)C(C)(C)C)cc1
InChIInChI=1S/C22H29NO3S/c1-17-10-14-20(15-11-17)27(25,26)23-19(16-21(24)22(2,3)4)13-12-18-8-6-5-7-9-18/h5-11,14-15,19,23H,12-13,16H2,1-4H3
InChIKeyKRRAOBCOGQCLCS-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.28
Rot. Bonds8

About N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide

N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide (PubChem CID 6636276) has the molecular formula C22H29NO3S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide
PubChem CID6636276
Molecular FormulaC22H29NO3S
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC NameN-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCc2ccccc2)CC(=O)C(C)(C)C)cc1
InChIInChI=1S/C22H29NO3S/c1-17-10-14-20(15-11-17)27(25,26)23-19(16-21(24)22(2,3)4)13-12-18-8-6-5-7-9-18/h5-11,14-15,19,23H,12-13,16H2,1-4H3
InChIKeyKRRAOBCOGQCLCS-UHFFFAOYSA-N
XLogP4.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nalpha-Tosyl-L-phenylalanine chloromethyl ketone
CID 439647
N-methyl-2-oxo-8-[(4-phenylphenyl)sulfonylamino]octanamide
CID 44340939
N-[2-(1,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-7-yl)-ethyl]-4-methyl-benzenesulfonamide
CID 16681770
N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide
CID 9824
Tosyl-L-phenylalanyl Chloride
CID 7019169
4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2916062
4-acetyl-N-cyclooctylbenzenesulfonamide
CID 7938156
4-methyl-N-[(2S)-4-oxo-1-phenylbutan-2-yl]benzenesulfonamide
CID 10757857
3-[4-(Ethylsulfamoyl)phenyl]propanamide
CID 2981741
4-methyl-N-[(3S)-1-oxoheptan-3-yl]benzenesulfonamide
CID 44574979
Tosyl phenylalanyl chloromethyl ketone
CID 18609500
1-Tosylamido-2-phenylethyldiazomethylketone
CID 192863

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide (CID 6636276) is N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CCc2ccccc2)CC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is KRRAOBCOGQCLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3S/c1-17-10-14-20(15-11-17)27(25,26)23-19(16-21(24)22(2,3)4)13-12-18-8-6-5-7-9-18/h5-11,14-15,19,23H,12-13,16H2,1-4H3.
What are the key properties of N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide?
N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 387.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 6636276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).