N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide

C19H21ClN4O3S — CID 9083540

IUPACN-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2C#N)c1
InChIInChI=1S/C19H21ClN4O3S/c1-3-24(4-2)28(26,27)17-7-5-6-16(11-17)22-13-19(25)23-18-10-15(20)9-8-14(18)12-21/h5-11,22H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyQQTUKAQAUGNLTI-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.29
Rot. Bonds8

About N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide

N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide (PubChem CID 9083540) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide
PubChem CID9083540
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2C#N)c1
InChIInChI=1S/C19H21ClN4O3S/c1-3-24(4-2)28(26,27)17-7-5-6-16(11-17)22-13-19(25)23-18-10-15(20)9-8-14(18)12-21/h5-11,22H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyQQTUKAQAUGNLTI-UHFFFAOYSA-N
XLogP3.29
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide
CID 24510641
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 60537508
2-[3-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 29327817
4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide
CID 110823956
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105872
N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
CID 51183160
2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide (CID 9083540) is N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide is CCN(CC)S(=O)(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2C#N)c1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide?
The InChIKey is QQTUKAQAUGNLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-3-24(4-2)28(26,27)17-7-5-6-16(11-17)22-13-19(25)23-18-10-15(20)9-8-14(18)12-21/h5-11,22H,3-4,13H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide has a molecular weight of 420.92 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 9083540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).