4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide

C22H29ClN2O6S — CID 55948208

IUPAC4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OCC
InChIInChI=1S/C22H29ClN2O6S/c1-5-8-11-31-21-17(23)12-15(13-20(21)30-6-2)22(26)24-16-9-10-18(19(14-16)29-4)25-32(27,28)7-3/h9-10,12-14,25H,5-8,11H2,1-4H3,(H,24,26)
InChIKeyLEVSJAQAWILUQK-UHFFFAOYSA-N
MW485.00 g/mol
LogP4.94
Rot. Bonds12

About 4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide

4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide (PubChem CID 55948208) has the molecular formula C22H29ClN2O6S and a molecular weight of 485.00 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
PubChem CID55948208
Molecular FormulaC22H29ClN2O6S
Molecular Weight485.00 g/mol
Exact Mass484.14
IUPAC Name4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OCC
InChIInChI=1S/C22H29ClN2O6S/c1-5-8-11-31-21-17(23)12-15(13-20(21)30-6-2)22(26)24-16-9-10-18(19(14-16)29-4)25-32(27,28)7-3/h9-10,12-14,25H,5-8,11H2,1-4H3,(H,24,26)
InChIKeyLEVSJAQAWILUQK-UHFFFAOYSA-N
XLogP4.94
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
CID 55946908
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 55956522
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 55551104
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
CID 55956275
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26877166

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide?
The IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide (CID 55948208) is 4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide.
What is the SMILES notation for 4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide?
The canonical SMILES for 4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide is CCCCOc1c(Cl)cc(C(=O)Nc2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OCC.
What is the InChIKey of 4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide?
The InChIKey is LEVSJAQAWILUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O6S/c1-5-8-11-31-21-17(23)12-15(13-20(21)30-6-2)22(26)24-16-9-10-18(19(14-16)29-4)25-32(27,28)7-3/h9-10,12-14,25H,5-8,11H2,1-4H3,(H,24,26).
What are the key properties of 4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide?
4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide has a molecular weight of 485.00 g/mol, XLogP of 4.94, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide is sourced from PubChem (CID 55948208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).