2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide

C16H27N3O4S — CID 17200342

IUPAC2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O4S/c1-14(2)23-12-8-11-17-16(20)13-19(24(21,22)18(3)4)15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,17,20)
InChIKeyURDCORQKCKZJGG-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.23
Rot. Bonds10

About 2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide

2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 17200342) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID17200342
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O4S/c1-14(2)23-12-8-11-17-16(20)13-19(24(21,22)18(3)4)15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,17,20)
InChIKeyURDCORQKCKZJGG-UHFFFAOYSA-N
XLogP1.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.23
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-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
CID 4600961
2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 21372641
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126390865
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126371916
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(3-ethoxypropyl)acetamide
CID 92664035
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126326800
N-tert-butyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 3963871
2-[N-(dimethylsulfamoyl)anilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2976396
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 46764764
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide (CID 17200342) is 2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is URDCORQKCKZJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-14(2)23-12-8-11-17-16(20)13-19(24(21,22)18(3)4)15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,17,20).
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 1.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 17200342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).