2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide

C19H28Cl2N2O4S — CID 43037231

IUPAC2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
SMILESCOCCCN(CC(=O)NC1CCCCC1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H28Cl2N2O4S/c1-14-6-3-4-7-18(14)22-19(24)13-23(10-5-11-27-2)28(25,26)15-8-9-16(20)17(21)12-15/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3,(H,22,24)
InChIKeyFSFWKZWCFJHUID-UHFFFAOYSA-N
MW451.42 g/mol
LogP3.72
Rot. Bonds9

About 2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide

2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide (PubChem CID 43037231) has the molecular formula C19H28Cl2N2O4S and a molecular weight of 451.42 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
PubChem CID43037231
Molecular FormulaC19H28Cl2N2O4S
Molecular Weight451.42 g/mol
Exact Mass450.11
IUPAC Name2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
SMILESCOCCCN(CC(=O)NC1CCCCC1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H28Cl2N2O4S/c1-14-6-3-4-7-18(14)22-19(24)13-23(10-5-11-27-2)28(25,26)15-8-9-16(20)17(21)12-15/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3,(H,22,24)
InChIKeyFSFWKZWCFJHUID-UHFFFAOYSA-N
XLogP3.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide
CID 42989106
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7918992
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9198274
N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 4786607
2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7919293
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42971231
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
CID 92645599
2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 24678249
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 9427774
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557433
[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9198266
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505771

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide (CID 43037231) is 2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide is COCCCN(CC(=O)NC1CCCCC1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is FSFWKZWCFJHUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N2O4S/c1-14-6-3-4-7-18(14)22-19(24)13-23(10-5-11-27-2)28(25,26)15-8-9-16(20)17(21)12-15/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of 2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide?
2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 451.42 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 43037231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).