N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide

C14H22N2O3S — CID 113052047

IUPACN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H22N2O3S/c1-11(2)16(13(4)17)10-9-15-20(18,19)14-7-5-12(3)6-8-14/h5-8,11,15H,9-10H2,1-4H3
InChIKeyIBNRBKDCCAPNNF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.53
Rot. Bonds6

About N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide (PubChem CID 113052047) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
PubChem CID113052047
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H22N2O3S/c1-11(2)16(13(4)17)10-9-15-20(18,19)14-7-5-12(3)6-8-14/h5-8,11,15H,9-10H2,1-4H3
InChIKeyIBNRBKDCCAPNNF-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-propan-2-ylamino]ethyl]benzenesulfonamide
CID 3989859
N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052721
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 120501754
N-(2-methoxyethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113053213
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759
(2S)-2-amino-N,4-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide;hydrochloride
CID 119807203
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
N-[2-[1,1-dicyanoprop-1-en-2-yl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 11067107
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113061066

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide (CID 113052047) is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1)C(C)C.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide?
The InChIKey is IBNRBKDCCAPNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)16(13(4)17)10-9-15-20(18,19)14-7-5-12(3)6-8-14/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide?
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide has a molecular weight of 298.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 113052047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).