2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C20H25ClN2O7S — CID 30222080

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCc1ccc(OC)c(OC)c1OC)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O7S/c1-27-16-9-7-14(21)10-15(16)23(31(5,25)26)12-18(24)22-11-13-6-8-17(28-2)20(30-4)19(13)29-3/h6-10H,11-12H2,1-5H3,(H,22,24)
InChIKeyMPGBWTBXFAMXDJ-UHFFFAOYSA-N
MW472.95 g/mol
LogP2.46
Rot. Bonds10

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 30222080) has the molecular formula C20H25ClN2O7S and a molecular weight of 472.95 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID30222080
Molecular FormulaC20H25ClN2O7S
Molecular Weight472.95 g/mol
Exact Mass472.11
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCc1ccc(OC)c(OC)c1OC)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O7S/c1-27-16-9-7-14(21)10-15(16)23(31(5,25)26)12-18(24)22-11-13-6-8-17(28-2)20(30-4)19(13)29-3/h6-10H,11-12H2,1-5H3,(H,22,24)
InChIKeyMPGBWTBXFAMXDJ-UHFFFAOYSA-N
XLogP2.46
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30225723
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30226235
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 1090676
N-[(2,4-dichlorophenyl)methyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342745
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30222084
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 30222085
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890597
N-[(2-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1210502
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 2177494
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998403

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 30222080) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(OC)c(OC)c1OC)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is MPGBWTBXFAMXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O7S/c1-27-16-9-7-14(21)10-15(16)23(31(5,25)26)12-18(24)22-11-13-6-8-17(28-2)20(30-4)19(13)29-3/h6-10H,11-12H2,1-5H3,(H,22,24).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 472.95 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30222080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).