N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

C18H23ClN4O3S — CID 4884619

IUPACN-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H23ClN4O3S/c1-4-20-16-10-9-13(27(25,26)23(2)3)11-17(16)21-12-18(24)22-15-8-6-5-7-14(15)19/h5-11,20-21H,4,12H2,1-3H3,(H,22,24)
InChIKeyJNCVAFQPLXBCAC-UHFFFAOYSA-N
MW410.93 g/mol
LogP3.07
Rot. Bonds8

About N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide (PubChem CID 4884619) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
PubChem CID4884619
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC NameN-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H23ClN4O3S/c1-4-20-16-10-9-13(27(25,26)23(2)3)11-17(16)21-12-18(24)22-15-8-6-5-7-14(15)19/h5-11,20-21H,4,12H2,1-3H3,(H,22,24)
InChIKeyJNCVAFQPLXBCAC-UHFFFAOYSA-N
XLogP3.07
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-((2-Chloroanilino)sulfonyl)phenyl)acetamide
CID 607660
2-[N-(2-chlorophenyl)methanesulfonamido]-N-phenylacetamide
CID 4384110
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4847508
N-[4-[[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]sulfamoyl]phenyl]acetamide
CID 16330427
N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274479
N-(2-{[(4-chlorophenyl)sulfonyl]amino}phenyl)acetamide
CID 873668
N~1~-[4-(acetylamino)phenyl]-N~2~-(2-chlorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 1319508
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N-ethyl-acetamide
CID 2271056
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 3280480
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3954803
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 3962514

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide (CID 4884619) is N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The InChIKey is JNCVAFQPLXBCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S/c1-4-20-16-10-9-13(27(25,26)23(2)3)11-17(16)21-12-18(24)22-15-8-6-5-7-14(15)19/h5-11,20-21H,4,12H2,1-3H3,(H,22,24).
What are the key properties of N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide has a molecular weight of 410.93 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide is sourced from PubChem (CID 4884619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).