2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide

C18H21ClN2O5S — CID 1098011

IUPAC2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H21ClN2O5S/c1-12-9-13(19)5-7-15(12)21(27(4,23)24)11-18(22)20-14-6-8-16(25-2)17(10-14)26-3/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyXUAJXLDNMIXFFT-UHFFFAOYSA-N
MW412.90 g/mol
LogP3.07
Rot. Bonds7

About 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 1098011) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID1098011
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H21ClN2O5S/c1-12-9-13(19)5-7-15(12)21(27(4,23)24)11-18(22)20-14-6-8-16(25-2)17(10-14)26-3/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyXUAJXLDNMIXFFT-UHFFFAOYSA-N
XLogP3.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1107867
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342871
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 1100061
N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3335724
N-(4-bromo-3-methylphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2280606
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978398
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)acetamide
CID 1102424
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 21372378

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide (CID 1098011) is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is XUAJXLDNMIXFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-12-9-13(19)5-7-15(12)21(27(4,23)24)11-18(22)20-14-6-8-16(25-2)17(10-14)26-3/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 412.90 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1098011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).