2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide

C13H20N2O3S — CID 5039910

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O3S/c1-4-9-14-13(16)11(3)15-19(17,18)12-7-5-10(2)6-8-12/h5-8,11,15H,4,9H2,1-3H3,(H,14,16)
InChIKeySDANPBAQPGWUPO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.19
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide

2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 5039910) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
PubChem CID5039910
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O3S/c1-4-9-14-13(16)11(3)15-19(17,18)12-7-5-10(2)6-8-12/h5-8,11,15H,4,9H2,1-3H3,(H,14,16)
InChIKeySDANPBAQPGWUPO-UHFFFAOYSA-N
XLogP1.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 4545843
ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate
CID 8800833
(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide
CID 9452306
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800730
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
CID 79185012
(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
CID 7126519
2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-propylpropanamide
CID 61250492
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide (CID 5039910) is 2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is SDANPBAQPGWUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-9-14-13(16)11(3)15-19(17,18)12-7-5-10(2)6-8-12/h5-8,11,15H,4,9H2,1-3H3,(H,14,16).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide?
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 5039910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).