2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide

C15H23N3O4S — CID 154839888

IUPAC2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CCN(C)C)cc1
InChIInChI=1S/C15H23N3O4S/c1-12(19)13-5-7-14(8-6-13)23(21,22)16-11-15(20)18(4)10-9-17(2)3/h5-8,16H,9-11H2,1-4H3
InChIKeyUALUQRMPVLUOIE-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.19
Rot. Bonds8

About 2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide

2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide (PubChem CID 154839888) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
PubChem CID154839888
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CCN(C)C)cc1
InChIInChI=1S/C15H23N3O4S/c1-12(19)13-5-7-14(8-6-13)23(21,22)16-11-15(20)18(4)10-9-17(2)3/h5-8,16H,9-11H2,1-4H3
InChIKeyUALUQRMPVLUOIE-UHFFFAOYSA-N
XLogP0.19
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 154835046
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401511
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide
CID 134058498
4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
CID 51249681
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112995445
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993738
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311606
4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 110454141

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide (CID 154839888) is 2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide is CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CCN(C)C)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The InChIKey is UALUQRMPVLUOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-12(19)13-5-7-14(8-6-13)23(21,22)16-11-15(20)18(4)10-9-17(2)3/h5-8,16H,9-11H2,1-4H3.
What are the key properties of 2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide has a molecular weight of 341.43 g/mol, XLogP of 0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide is sourced from PubChem (CID 154839888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).