N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide

C16H25NO4S — CID 17309477

IUPACN-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCCCCOCCCNC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO4S/c1-3-4-11-21-12-5-10-17-16(18)13-22(19,20)15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,17,18)
InChIKeyHOZDWINJWBTPEP-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.09
Rot. Bonds10

About N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide

N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 17309477) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID17309477
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCCCCOCCCNC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO4S/c1-3-4-11-21-12-5-10-17-16(18)13-22(19,20)15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,17,18)
InChIKeyHOZDWINJWBTPEP-UHFFFAOYSA-N
XLogP2.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide
CID 87023768
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
1-butyl-3-[(4-methylphenyl)sulfonylmethyl]urea
CID 102138486
N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46652731
N'-butylsulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide
CID 146673615
N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55349463
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698
2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 17309496
2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
CID 47218356

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide (CID 17309477) is N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide is CCCCOCCCNC(=O)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is HOZDWINJWBTPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-3-4-11-21-12-5-10-17-16(18)13-22(19,20)15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,17,18).
What are the key properties of N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide?
N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 327.45 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 17309477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).