N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide

C22H19ClN2O4S — CID 1318894

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O4S/c1-15-7-10-18(11-8-15)30(28,29)24-14-21(26)25-20-12-9-17(23)13-19(20)22(27)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,25,26)
InChIKeyBUDUNDADMQQPTE-UHFFFAOYSA-N
MW442.92 g/mol
LogP3.80
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 1318894) has the molecular formula C22H19ClN2O4S and a molecular weight of 442.92 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID1318894
Molecular FormulaC22H19ClN2O4S
Molecular Weight442.92 g/mol
Exact Mass442.08
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O4S/c1-15-7-10-18(11-8-15)30(28,29)24-14-21(26)25-20-12-9-17(23)13-19(20)22(27)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,25,26)
InChIKeyBUDUNDADMQQPTE-UHFFFAOYSA-N
XLogP3.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 15327306
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 893384
1-(2-benzoyl-4-chlorophenyl)-3-(4-methylphenyl)thiourea
CID 100639453
N-(2-benzoyl-4-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45372617
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
2-[(4-chlorophenyl)sulfonylamino]-N-(2-hydroxyphenyl)acetamide
CID 50740127
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 1318894) is N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is BUDUNDADMQQPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4S/c1-15-7-10-18(11-8-15)30(28,29)24-14-21(26)25-20-12-9-17(23)13-19(20)22(27)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,25,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 442.92 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 1318894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).