N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide

C16H26N2O4S — CID 112995445

IUPACN-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
SMILESCCCCN(C)C(=O)CNS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26N2O4S/c1-5-6-11-18(4)16(19)12-17-23(20,21)15-9-7-14(8-10-15)22-13(2)3/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyTZGRWHCVHNZVID-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.01
Rot. Bonds9

About N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide

N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide (PubChem CID 112995445) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
PubChem CID112995445
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
SMILESCCCCN(C)C(=O)CNS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26N2O4S/c1-5-6-11-18(4)16(19)12-17-23(20,21)15-9-7-14(8-10-15)22-13(2)3/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyTZGRWHCVHNZVID-UHFFFAOYSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998900
2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 112990609
N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 5124030
N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
N-(3,4-difluorophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 113002373
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 154839888
N-cyclohexyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 110285141
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099577
N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 4157955

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide (CID 112995445) is N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide is CCCCN(C)C(=O)CNS(=O)(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide?
The InChIKey is TZGRWHCVHNZVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-6-11-18(4)16(19)12-17-23(20,21)15-9-7-14(8-10-15)22-13(2)3/h7-10,13,17H,5-6,11-12H2,1-4H3.
What are the key properties of N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide?
N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide has a molecular weight of 342.46 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112995445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).