2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C19H27ClN2O4S — CID 30167908

IUPAC2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H27ClN2O4S/c1-3-26-17-10-9-16(20)13-18(17)27(24,25)22(2)14-19(23)21-12-11-15-7-5-4-6-8-15/h7,9-10,13H,3-6,8,11-12,14H2,1-2H3,(H,21,23)
InChIKeyCTICLKDAQYRXJO-UHFFFAOYSA-N
MW414.96 g/mol
LogP3.37
Rot. Bonds9

About 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 30167908) has the molecular formula C19H27ClN2O4S and a molecular weight of 414.96 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID30167908
Molecular FormulaC19H27ClN2O4S
Molecular Weight414.96 g/mol
Exact Mass414.14
IUPAC Name2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H27ClN2O4S/c1-3-26-17-10-9-16(20)13-18(17)27(24,25)22(2)14-19(23)21-12-11-15-7-5-4-6-8-15/h7,9-10,13H,3-6,8,11-12,14H2,1-2H3,(H,21,23)
InChIKeyCTICLKDAQYRXJO-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 17027739
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 30167910
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 45371959
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 92647652
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 30168127
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 30167981
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30168025
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109014741
N-(4-bromo-2-fluorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168021
ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate
CID 62011450
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 126415843
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 30167908) is 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is CTICLKDAQYRXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4S/c1-3-26-17-10-9-16(20)13-18(17)27(24,25)22(2)14-19(23)21-12-11-15-7-5-4-6-8-15/h7,9-10,13H,3-6,8,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 414.96 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 30167908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).