2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide

C19H24N2O3S — CID 3114020

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)20-19(22)14-21(13-17-7-5-4-6-8-17)25(23,24)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyFWBKOMBQOPWITG-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.71
Rot. Bonds7

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 3114020) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID3114020
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)20-19(22)14-21(13-17-7-5-4-6-8-17)25(23,24)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyFWBKOMBQOPWITG-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4683332
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 126010026
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4694815
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43871639
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126395375
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 126068242
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
CID 126067032
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 1209132

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide (CID 3114020) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is FWBKOMBQOPWITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15(2)20-19(22)14-21(13-17-7-5-4-6-8-17)25(23,24)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 3114020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).