N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide

C15H23ClN2O3S — CID 113056884

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(Cl)cc1)CCC(C)C
InChIInChI=1S/C15H23ClN2O3S/c1-12(2)8-10-18(13(3)19)11-9-17-22(20,21)15-6-4-14(16)5-7-15/h4-7,12,17H,8-11H2,1-3H3
InChIKeyFTTLFVYWHFTZBT-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.51
Rot. Bonds8

About N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide (PubChem CID 113056884) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
PubChem CID113056884
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(Cl)cc1)CCC(C)C
InChIInChI=1S/C15H23ClN2O3S/c1-12(2)8-10-18(13(3)19)11-9-17-22(20,21)15-6-4-14(16)5-7-15/h4-7,12,17H,8-11H2,1-3H3
InChIKeyFTTLFVYWHFTZBT-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056923
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056910
N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056912
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113055790
N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052721
N-[2-(benzenesulfonamido)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056293
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
N-(3-methylbutyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113056893
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
CID 113051954
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
CID 113052454
N-(2-methoxyethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113053213

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide (CID 113056884) is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(Cl)cc1)CCC(C)C.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
The InChIKey is FTTLFVYWHFTZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-12(2)8-10-18(13(3)19)11-9-17-22(20,21)15-6-4-14(16)5-7-15/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide has a molecular weight of 346.88 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113056884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).