3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

C19H24N2O3S — CID 24637071

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-5-8-17(9-6-14)13-20-19(22)10-11-21-25(23,24)18-12-15(2)4-7-16(18)3/h4-9,12,21H,10-11,13H2,1-3H3,(H,20,22)
InChIKeySSSPAXAJNGGVJT-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.60
Rot. Bonds7

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 24637071) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID24637071
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-5-8-17(9-6-14)13-20-19(22)10-11-21-25(23,24)18-12-15(2)4-7-16(18)3/h4-9,12,21H,10-11,13H2,1-3H3,(H,20,22)
InChIKeySSSPAXAJNGGVJT-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654
N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112992587
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639574
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 35806370
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38503560
N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55734058
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
4-[[2-[(2,5-dimethylphenyl)sulfonylamino]ethylcarbamoylamino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55746394

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (CID 24637071) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is SSSPAXAJNGGVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-5-8-17(9-6-14)13-20-19(22)10-11-21-25(23,24)18-12-15(2)4-7-16(18)3/h4-9,12,21H,10-11,13H2,1-3H3,(H,20,22).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 360.48 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 24637071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).