N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide

C24H29F3N2O4S — CID 30215284

IUPACN-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCCOC2CCCC2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H29F3N2O4S/c1-18-10-12-22(13-11-18)34(31,32)29(20-7-4-6-19(16-20)24(25,26)27)17-23(30)28-14-5-15-33-21-8-2-3-9-21/h4,6-7,10-13,16,21H,2-3,5,8-9,14-15,17H2,1H3,(H,28,30)
InChIKeyCZKWYWCNAVTQFG-UHFFFAOYSA-N
MW498.57 g/mol
LogP4.67
Rot. Bonds10

About N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide

N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 30215284) has the molecular formula C24H29F3N2O4S and a molecular weight of 498.57 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID30215284
Molecular FormulaC24H29F3N2O4S
Molecular Weight498.57 g/mol
Exact Mass498.18
IUPAC NameN-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCCOC2CCCC2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H29F3N2O4S/c1-18-10-12-22(13-11-18)34(31,32)29(20-7-4-6-19(16-20)24(25,26)27)17-23(30)28-14-5-15-33-21-8-2-3-9-21/h4,6-7,10-13,16,21H,2-3,5,8-9,14-15,17H2,1H3,(H,28,30)
InChIKeyCZKWYWCNAVTQFG-UHFFFAOYSA-N
XLogP4.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 54.67
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-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174863
N-hexyl-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 127046267
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 30227480
2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174135
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 2889686
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30249072
N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217888
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30213587
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylsulfanylethyl)acetamide
CID 51344306
N-(2-tert-butylsulfanylethyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 2286892
N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide
CID 44530184

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 30215284) is N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC2CCCC2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is CZKWYWCNAVTQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O4S/c1-18-10-12-22(13-11-18)34(31,32)29(20-7-4-6-19(16-20)24(25,26)27)17-23(30)28-14-5-15-33-21-8-2-3-9-21/h4,6-7,10-13,16,21H,2-3,5,8-9,14-15,17H2,1H3,(H,28,30).
What are the key properties of N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 498.57 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 30215284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).