4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide

C16H26N2O3S — CID 18104806

IUPAC4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
SMILESCCCNC(=O)C(CC(C)C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-10-17-16(19)15(11-12(2)3)18-22(20,21)14-8-6-13(4)7-9-14/h6-9,12,15,18H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyVIEBDTREBWLNJQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.21
Rot. Bonds8

About 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide (PubChem CID 18104806) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
PubChem CID18104806
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
SMILESCCCNC(=O)C(CC(C)C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-10-17-16(19)15(11-12(2)3)18-22(20,21)14-8-6-13(4)7-9-14/h6-9,12,15,18H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyVIEBDTREBWLNJQ-UHFFFAOYSA-N
XLogP2.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
CID 7126519
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-phenoxypropyl)pentanamide
CID 55431403
N-(3-cyclohexyloxypropyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 46613224
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 4624697
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 43007121
benzyl 2-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]acetate
CID 55350464

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide (CID 18104806) is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide is CCCNC(=O)C(CC(C)C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide?
The InChIKey is VIEBDTREBWLNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-10-17-16(19)15(11-12(2)3)18-22(20,21)14-8-6-13(4)7-9-14/h6-9,12,15,18H,5,10-11H2,1-4H3,(H,17,19).
What are the key properties of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide?
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide has a molecular weight of 326.46 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide is sourced from PubChem (CID 18104806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).