3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide

C24H29ClN2O4S — CID 42871342

IUPAC3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)C1CON(C)C1c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H29ClN2O4S/c1-3-15-27(20-8-4-5-9-20)32(28,29)23-17-30-26(2)24(23)18-7-6-10-22(16-18)31-21-13-11-19(25)12-14-21/h3,6-7,10-14,16,20,23-24H,1,4-5,8-9,15,17H2,2H3
InChIKeyIJECMYASXTUSCE-UHFFFAOYSA-N
MW477.03 g/mol
LogP5.18
Rot. Bonds8

About 3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide

3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 42871342) has the molecular formula C24H29ClN2O4S and a molecular weight of 477.03 g/mol. Its IUPAC name is 3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
PubChem CID42871342
Molecular FormulaC24H29ClN2O4S
Molecular Weight477.03 g/mol
Exact Mass476.15
IUPAC Name3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)C1CON(C)C1c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H29ClN2O4S/c1-3-15-27(20-8-4-5-9-20)32(28,29)23-17-30-26(2)24(23)18-7-6-10-22(16-18)31-21-13-11-19(25)12-14-21/h3,6-7,10-14,16,20,23-24H,1,4-5,8-9,15,17H2,2H3
InChIKeyIJECMYASXTUSCE-UHFFFAOYSA-N
XLogP5.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.03
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043886
(3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
CID 100898283
N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
CID 42851318
(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98633724
N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
CID 46043869
3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
CID 46071360
N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46071205
ethyl 1-[[3-(3-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-4-carboxylate
CID 42851312
4-[3-(4-chlorophenoxy)phenyl]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 43041774
(3S,4S)-N-[4-(dimethylamino)phenyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000274
3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 42851281
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide (CID 42871342) is 3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide is C=CCN(C1CCCC1)S(=O)(=O)C1CON(C)C1c1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is IJECMYASXTUSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4S/c1-3-15-27(20-8-4-5-9-20)32(28,29)23-17-30-26(2)24(23)18-7-6-10-22(16-18)31-21-13-11-19(25)12-14-21/h3,6-7,10-14,16,20,23-24H,1,4-5,8-9,15,17H2,2H3.
What are the key properties of 3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide?
3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 477.03 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42871342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).