2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide

C18H20ClN3O4S — CID 7677315

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-13(23)21-15-7-9-16(10-8-15)27(25,26)20-11-18(24)22(2)12-14-5-3-4-6-17(14)19/h3-10,20H,11-12H2,1-2H3,(H,21,23)
InChIKeyUWJUADWXMOCBSJ-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.24
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide

2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 7677315) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
PubChem CID7677315
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-13(23)21-15-7-9-16(10-8-15)27(25,26)20-11-18(24)22(2)12-14-5-3-4-6-17(14)19/h3-10,20H,11-12H2,1-2H3,(H,21,23)
InChIKeyUWJUADWXMOCBSJ-UHFFFAOYSA-N
XLogP2.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 4789994
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710904
N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710902
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55361761
N-benzyl-2-[(2-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300498
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992432
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 9368344
N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 26594107

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide (CID 7677315) is 2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is UWJUADWXMOCBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-13(23)21-15-7-9-16(10-8-15)27(25,26)20-11-18(24)22(2)12-14-5-3-4-6-17(14)19/h3-10,20H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 409.90 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 7677315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).