N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide

C19H23ClN2O5S — CID 30149936

IUPACN-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
SMILESCCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C19H23ClN2O5S/c1-6-28(24,25)22(3)16-11-18(27-5)17(26-4)10-13(16)19(23)21-15-9-7-8-14(20)12(15)2/h7-11H,6H2,1-5H3,(H,21,23)
InChIKeyVJABLQKSNHAQSG-UHFFFAOYSA-N
MW426.92 g/mol
LogP3.70
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide

N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide (PubChem CID 30149936) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
PubChem CID30149936
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
SMILESCCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C19H23ClN2O5S/c1-6-28(24,25)22(3)16-11-18(27-5)17(26-4)10-13(16)19(23)21-15-9-7-8-14(20)12(15)2/h7-11H,6H2,1-5H3,(H,21,23)
InChIKeyVJABLQKSNHAQSG-UHFFFAOYSA-N
XLogP3.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21173367
N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149679
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150068
N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
CID 30148235
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide
CID 30149704
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150470
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 30149815
2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 30149122
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36862429

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide (CID 30149936) is N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide is CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The InChIKey is VJABLQKSNHAQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-6-28(24,25)22(3)16-11-18(27-5)17(26-4)10-13(16)19(23)21-15-9-7-8-14(20)12(15)2/h7-11H,6H2,1-5H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide has a molecular weight of 426.92 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 30149936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).