2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide

C21H26ClFN2O4S — CID 126390921

IUPAC2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClFN2O4S/c1-16(2)29-13-3-12-24-21(26)15-25(14-17-4-8-19(23)9-5-17)30(27,28)20-10-6-18(22)7-11-20/h4-11,16H,3,12-15H2,1-2H3,(H,24,26)
InChIKeyFAXUMOSVOUIMRT-UHFFFAOYSA-N
MW456.97 g/mol
LogP3.60
Rot. Bonds11

About 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 126390921) has the molecular formula C21H26ClFN2O4S and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID126390921
Molecular FormulaC21H26ClFN2O4S
Molecular Weight456.97 g/mol
Exact Mass456.13
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClFN2O4S/c1-16(2)29-13-3-12-24-21(26)15-25(14-17-4-8-19(23)9-5-17)30(27,28)20-10-6-18(22)7-11-20/h4-11,16H,3,12-15H2,1-2H3,(H,24,26)
InChIKeyFAXUMOSVOUIMRT-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 53.60
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-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126085750
2-[(4-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxyacetamide
CID 100984436
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401160
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 28544752
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-ethoxypropyl)acetamide
CID 126331018
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126393830
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 21380398
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2-methoxyethyl)acetamide
CID 2292710
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 100750759
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126326800
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 21380315

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide (CID 126390921) is 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is FAXUMOSVOUIMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN2O4S/c1-16(2)29-13-3-12-24-21(26)15-25(14-17-4-8-19(23)9-5-17)30(27,28)20-10-6-18(22)7-11-20/h4-11,16H,3,12-15H2,1-2H3,(H,24,26).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 456.97 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 126390921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).