3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide

C18H27ClN2O4S — CID 55724392

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
SMILESCC1CCCCC1OCCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2O4S/c1-14-5-2-3-8-17(14)25-12-11-20-18(22)9-10-21-26(23,24)16-7-4-6-15(19)13-16/h4,6-7,13-14,17,21H,2-3,5,8-12H2,1H3,(H,20,22)
InChIKeyBKIQIQDCFDLEDV-UHFFFAOYSA-N
MW402.94 g/mol
LogP2.72
Rot. Bonds9

About 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide (PubChem CID 55724392) has the molecular formula C18H27ClN2O4S and a molecular weight of 402.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
PubChem CID55724392
Molecular FormulaC18H27ClN2O4S
Molecular Weight402.94 g/mol
Exact Mass402.14
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
SMILESCC1CCCCC1OCCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2O4S/c1-14-5-2-3-8-17(14)25-12-11-20-18(22)9-10-21-26(23,24)16-7-4-6-15(19)13-16/h4,6-7,13-14,17,21H,2-3,5,8-12H2,1H3,(H,20,22)
InChIKeyBKIQIQDCFDLEDV-UHFFFAOYSA-N
XLogP2.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.94
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide
CID 55905470
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33000051
1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide
CID 55924641
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide
CID 55585732
N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55694254
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 15992422
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide (CID 55724392) is 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide is CC1CCCCC1OCCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
The InChIKey is BKIQIQDCFDLEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4S/c1-14-5-2-3-8-17(14)25-12-11-20-18(22)9-10-21-26(23,24)16-7-4-6-15(19)13-16/h4,6-7,13-14,17,21H,2-3,5,8-12H2,1H3,(H,20,22).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide has a molecular weight of 402.94 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide is sourced from PubChem (CID 55724392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).