N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide

C16H26N2O3S — CID 113056912

IUPACN-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccc(C)c1)CCC(C)C
InChIInChI=1S/C16H26N2O3S/c1-13(2)8-10-18(15(4)19)11-9-17-22(20,21)16-7-5-6-14(3)12-16/h5-7,12-13,17H,8-11H2,1-4H3
InChIKeyAGHSPUYNJJGPSE-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.17
Rot. Bonds8

About N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide

N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113056912) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113056912
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccc(C)c1)CCC(C)C
InChIInChI=1S/C16H26N2O3S/c1-13(2)8-10-18(15(4)19)11-9-17-22(20,21)16-7-5-6-14(3)12-16/h5-7,12-13,17H,8-11H2,1-4H3
InChIKeyAGHSPUYNJJGPSE-UHFFFAOYSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054409
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113055801
N-(3-methylbutyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113056893
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056884
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056923
N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054618
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113054288
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056910
N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046
N-(5-bromo-4-methylpentyl)-3-methylbenzenesulfonamide
CID 106158703
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide (CID 113056912) is N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1cccc(C)c1)CCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is AGHSPUYNJJGPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(2)8-10-18(15(4)19)11-9-17-22(20,21)16-7-5-6-14(3)12-16/h5-7,12-13,17H,8-11H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113056912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).