1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide

C21H24ClNO5S — CID 46399799

IUPAC1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCOc1cccc(OCCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1
InChIInChI=1S/C21H24ClNO5S/c1-27-17-5-4-6-18(15-17)28-14-13-23-20(24)21(11-2-3-12-21)29(25,26)19-9-7-16(22)8-10-19/h4-10,15H,2-3,11-14H2,1H3,(H,23,24)
InChIKeyIVPFAIHRMPFULY-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.63
Rot. Bonds8

About 1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 46399799) has the molecular formula C21H24ClNO5S and a molecular weight of 437.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID46399799
Molecular FormulaC21H24ClNO5S
Molecular Weight437.95 g/mol
Exact Mass437.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCOc1cccc(OCCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1
InChIInChI=1S/C21H24ClNO5S/c1-27-17-5-4-6-18(15-17)28-14-13-23-20(24)21(11-2-3-12-21)29(25,26)19-9-7-16(22)8-10-19/h4-10,15H,2-3,11-14H2,1H3,(H,23,24)
InChIKeyIVPFAIHRMPFULY-UHFFFAOYSA-N
XLogP3.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006
1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798
1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175
1-amino-N-[3-(3-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119331598
1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 15997698
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484665
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237490
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119295699
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
CID 39675141

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide (CID 46399799) is 1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide is COc1cccc(OCCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is IVPFAIHRMPFULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO5S/c1-27-17-5-4-6-18(15-17)28-14-13-23-20(24)21(11-2-3-12-21)29(25,26)19-9-7-16(22)8-10-19/h4-10,15H,2-3,11-14H2,1H3,(H,23,24).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 437.95 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 46399799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).