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

C19H32N2O3S — CID 113056923

IUPACN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)CCC(C)C
InChIInChI=1S/C19H32N2O3S/c1-15(2)11-13-21(16(3)22)14-12-20-25(23,24)18-9-7-17(8-10-18)19(4,5)6/h7-10,15,20H,11-14H2,1-6H3
InChIKeyNTHKNADCNCJYGG-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.16
Rot. Bonds8

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

N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide (PubChem CID 113056923) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
PubChem CID113056923
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC NameN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)CCC(C)C
InChIInChI=1S/C19H32N2O3S/c1-15(2)11-13-21(16(3)22)14-12-20-25(23,24)18-9-7-17(8-10-18)19(4,5)6/h7-10,15,20H,11-14H2,1-6H3
InChIKeyNTHKNADCNCJYGG-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056884
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
CID 113051954
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056912
N-(3-methylbutyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113056893
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056910
N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
CID 109061117
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
CID 113052454
N-(2-methoxyethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113053213
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide
CID 113052606

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide (CID 113056923) is N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)CCC(C)C.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
The InChIKey is NTHKNADCNCJYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-15(2)11-13-21(16(3)22)14-12-20-25(23,24)18-9-7-17(8-10-18)19(4,5)6/h7-10,15,20H,11-14H2,1-6H3.
What are the key properties of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide has a molecular weight of 368.54 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113056923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).