N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide

C15H24N2O3S — CID 113052766

IUPACN-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCC(C)N(CCNS(=O)(=O)c1ccccc1C)C(C)=O
InChIInChI=1S/C15H24N2O3S/c1-5-13(3)17(14(4)18)11-10-16-21(19,20)15-9-7-6-8-12(15)2/h6-9,13,16H,5,10-11H2,1-4H3
InChIKeyVPQZZFHMCSQZSR-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.92
Rot. Bonds7

About N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide

N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113052766) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113052766
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCC(C)N(CCNS(=O)(=O)c1ccccc1C)C(C)=O
InChIInChI=1S/C15H24N2O3S/c1-5-13(3)17(14(4)18)11-10-16-21(19,20)15-9-7-6-8-12(15)2/h6-9,13,16H,5,10-11H2,1-4H3
InChIKeyVPQZZFHMCSQZSR-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052721
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065440
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052708
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
2-[(2-methylphenyl)sulfonylamino]-N,N-dipropylacetamide
CID 112995821
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
CID 112502252
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
CID 113069089
2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068516
N-[2-(3-chlorophenyl)ethyl]-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113057115

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide (CID 113052766) is N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide is CCC(C)N(CCNS(=O)(=O)c1ccccc1C)C(C)=O.
What is the InChIKey of N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is VPQZZFHMCSQZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-13(3)17(14(4)18)11-10-16-21(19,20)15-9-7-6-8-12(15)2/h6-9,13,16H,5,10-11H2,1-4H3.
What are the key properties of N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide?
N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 312.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113052766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).