2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C18H22ClN3O4S — CID 55345496

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22ClN3O4S/c1-12-8-16(17(26-4)10-15(12)19)20-11-18(23)21-13-6-5-7-14(9-13)27(24,25)22(2)3/h5-10,20H,11H2,1-4H3,(H,21,23)
InChIKeyNRSVNMPKBFYYGA-UHFFFAOYSA-N
MW411.91 g/mol
LogP2.96
Rot. Bonds7

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 55345496) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID55345496
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22ClN3O4S/c1-12-8-16(17(26-4)10-15(12)19)20-11-18(23)21-13-6-5-7-14(9-13)27(24,25)22(2)3/h5-10,20H,11H2,1-4H3,(H,21,23)
InChIKeyNRSVNMPKBFYYGA-UHFFFAOYSA-N
XLogP2.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29459517
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide
CID 51225156
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 4884058
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chlorophenyl)propanamide
CID 109038015
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 109009071
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 55345496) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is COc1cc(Cl)c(C)cc1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is NRSVNMPKBFYYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-12-8-16(17(26-4)10-15(12)19)20-11-18(23)21-13-6-5-7-14(9-13)27(24,25)22(2)3/h5-10,20H,11H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 411.91 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 55345496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).