2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide

C14H22N2O4S — CID 3244614

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-10-15-14(17)13(5-2)16-21(18,19)12-8-6-11(20-3)7-9-12/h6-9,13,16H,4-5,10H2,1-3H3,(H,15,17)
InChIKeyPZXRKPKBCXRIPT-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.28
Rot. Bonds8

About 2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide

2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide (PubChem CID 3244614) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide
PubChem CID3244614
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-10-15-14(17)13(5-2)16-21(18,19)12-8-6-11(20-3)7-9-12/h6-9,13,16H,4-5,10H2,1-3H3,(H,15,17)
InChIKeyPZXRKPKBCXRIPT-UHFFFAOYSA-N
XLogP1.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl]amino]-3-methylbutanamide
CID 6539651
Hydroxamate 21
CID 6916013
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]glycinamide
CID 10445302
Hydroxamate 27
CID 10591505
N-hydroxy-2-[(4-methoxybenzene)(3-methylbutyl)sulfonamido]acetamide
CID 10640178
Hydroxamate 15
CID 10707457
N-[6-oxo-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidin-1-yl]hexyl]acetamide
CID 46175162
4-acetyl-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide
CID 10522311
N-hydroxy-1-(4-methoxyphenylsulfonyl)piperidine-2-carboxamide
CID 10829071
4-(Methanesulfonyl-propyl-amino)-1-(4-methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 11797154

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide (CID 3244614) is 2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide is CCCNC(=O)C(CC)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide?
The InChIKey is PZXRKPKBCXRIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-10-15-14(17)13(5-2)16-21(18,19)12-8-6-11(20-3)7-9-12/h6-9,13,16H,4-5,10H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide?
2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide has a molecular weight of 314.41 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-N-propylbutanamide is sourced from PubChem (CID 3244614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).