2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide

C18H21ClN2O4S — CID 2279014

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-12-5-8-17(25-3)16(9-12)20-18(22)11-21(26(4,23)24)14-7-6-13(2)15(19)10-14/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeySCKNRPINDUDTPK-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.37
Rot. Bonds6

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 2279014) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID2279014
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-12-5-8-17(25-3)16(9-12)20-18(22)11-21(26(4,23)24)14-7-6-13(2)15(19)10-14/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeySCKNRPINDUDTPK-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998394
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896030
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2973626
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
N-(5-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978401
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 126035617
N-(2-methoxy-5-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1019072
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978398
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)acetamide
CID 1102424
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342871

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide (CID 2279014) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is SCKNRPINDUDTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12-5-8-17(25-3)16(9-12)20-18(22)11-21(26(4,23)24)14-7-6-13(2)15(19)10-14/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 396.90 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 2279014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).