3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide

C19H23ClN2O5S — CID 55946908

IUPAC3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)cc1OC
InChIInChI=1S/C19H23ClN2O5S/c1-5-27-18-15(20)10-13(11-17(18)26-4)19(23)21-14-7-8-16(12(3)9-14)22-28(24,25)6-2/h7-11,22H,5-6H2,1-4H3,(H,21,23)
InChIKeyHEDUDZJWGZEZTI-UHFFFAOYSA-N
MW426.92 g/mol
LogP4.07
Rot. Bonds8

About 3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide

3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide (PubChem CID 55946908) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
PubChem CID55946908
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)cc1OC
InChIInChI=1S/C19H23ClN2O5S/c1-5-27-18-15(20)10-13(11-17(18)26-4)19(23)21-14-7-8-16(12(3)9-14)22-28(24,25)6-2/h7-11,22H,5-6H2,1-4H3,(H,21,23)
InChIKeyHEDUDZJWGZEZTI-UHFFFAOYSA-N
XLogP4.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948208
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
CID 24659660
3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 26239702
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 55956522
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55947038
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
CID 55956275

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide (CID 55946908) is 3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide?
The InChIKey is HEDUDZJWGZEZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-5-27-18-15(20)10-13(11-17(18)26-4)19(23)21-14-7-8-16(12(3)9-14)22-28(24,25)6-2/h7-11,22H,5-6H2,1-4H3,(H,21,23).
What are the key properties of 3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide?
3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide has a molecular weight of 426.92 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide is sourced from PubChem (CID 55946908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).