3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide

C15H24N2O3S — CID 51159054

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCC(C)C)cc1C
InChIInChI=1S/C15H24N2O3S/c1-11(2)10-16-15(18)7-8-17-21(19,20)14-6-5-12(3)13(4)9-14/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyZYZGUBHKHZRJJX-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.74
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide (PubChem CID 51159054) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
PubChem CID51159054
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCC(C)C)cc1C
InChIInChI=1S/C15H24N2O3S/c1-11(2)10-16-15(18)7-8-17-21(19,20)14-6-5-12(3)13(4)9-14/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyZYZGUBHKHZRJJX-UHFFFAOYSA-N
XLogP1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
N-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2385556
N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 120831447
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 46475956
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1R)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]propanamide
CID 97070859
N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
CID 55848949
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 4009443
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide (CID 51159054) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCC(C)C)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is ZYZGUBHKHZRJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)10-16-15(18)7-8-17-21(19,20)14-6-5-12(3)13(4)9-14/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 312.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 51159054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).