3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide

C21H28N2O3S — CID 99443545

IUPAC3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-15(2)18-11-8-17(9-12-18)6-5-13-22-21(24)19-10-7-16(3)20(14-19)23-27(4,25)26/h7-12,14-15,23H,5-6,13H2,1-4H3,(H,22,24)
InChIKeyZGKWZHNHXFOIAZ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.85
Rot. Bonds8

About 3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide

3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide (PubChem CID 99443545) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
PubChem CID99443545
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-15(2)18-11-8-17(9-12-18)6-5-13-22-21(24)19-10-7-16(3)20(14-19)23-27(4,25)26/h7-12,14-15,23H,5-6,13H2,1-4H3,(H,22,24)
InChIKeyZGKWZHNHXFOIAZ-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 48599378
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
4-methyl-3-nitro-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 99997878
3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
CID 51078705
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350
4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
CID 49014960
3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46333840
N-[3-(4-chlorophenyl)propyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11292857
2-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119225437
N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175
N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 31991118
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 94617104

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide (CID 99443545) is 3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide is Cc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide?
The InChIKey is ZGKWZHNHXFOIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)18-11-8-17(9-12-18)6-5-13-22-21(24)19-10-7-16(3)20(14-19)23-27(4,25)26/h7-12,14-15,23H,5-6,13H2,1-4H3,(H,22,24).
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide?
3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide is sourced from PubChem (CID 99443545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).