3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide

C19H22ClNO6S — CID 86797117

IUPAC3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2c(OC)cccc2S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H22ClNO6S/c1-5-9-27-18-13(20)10-12(11-15(18)26-3)19(22)21-17-14(25-2)7-6-8-16(17)28(4,23)24/h6-8,10-11H,5,9H2,1-4H3,(H,21,22)
InChIKeyUHIUSZLLSJDVSA-UHFFFAOYSA-N
MW427.91 g/mol
LogP3.80
Rot. Bonds8

About 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide

3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide (PubChem CID 86797117) has the molecular formula C19H22ClNO6S and a molecular weight of 427.91 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide
PubChem CID86797117
Molecular FormulaC19H22ClNO6S
Molecular Weight427.91 g/mol
Exact Mass427.09
IUPAC Name3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2c(OC)cccc2S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H22ClNO6S/c1-5-9-27-18-13(20)10-12(11-15(18)26-3)19(22)21-17-14(25-2)7-6-8-16(17)28(4,23)24/h6-8,10-11H,5,9H2,1-4H3,(H,21,22)
InChIKeyUHIUSZLLSJDVSA-UHFFFAOYSA-N
XLogP3.80
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 124506712
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 119642923

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide (CID 86797117) is 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2c(OC)cccc2S(C)(=O)=O)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide?
The InChIKey is UHIUSZLLSJDVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO6S/c1-5-9-27-18-13(20)10-12(11-15(18)26-3)19(22)21-17-14(25-2)7-6-8-16(17)28(4,23)24/h6-8,10-11H,5,9H2,1-4H3,(H,21,22).
What are the key properties of 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide?
3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide has a molecular weight of 427.91 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide is sourced from PubChem (CID 86797117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).