2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide

C20H29ClF3N3O3S — CID 43896302

IUPAC2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILESCCC1CCCCN1CCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C20H29ClF3N3O3S/c1-3-16-7-4-5-11-26(16)12-6-10-25-19(28)14-27(31(2,29)30)18-13-15(20(22,23)24)8-9-17(18)21/h8-9,13,16H,3-7,10-12,14H2,1-2H3,(H,25,28)
InChIKeyQGUDYXXYWWRLGI-UHFFFAOYSA-N
MW483.98 g/mol
LogP3.90
Rot. Bonds9

About 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide (PubChem CID 43896302) has the molecular formula C20H29ClF3N3O3S and a molecular weight of 483.98 g/mol. Its IUPAC name is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
PubChem CID43896302
Molecular FormulaC20H29ClF3N3O3S
Molecular Weight483.98 g/mol
Exact Mass483.16
IUPAC Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILESCCC1CCCCN1CCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C20H29ClF3N3O3S/c1-3-16-7-4-5-11-26(16)12-6-10-25-19(28)14-27(31(2,29)30)18-13-15(20(22,23)24)8-9-17(18)21/h8-9,13,16H,3-7,10-12,14H2,1-2H3,(H,25,28)
InChIKeyQGUDYXXYWWRLGI-UHFFFAOYSA-N
XLogP3.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 53.90
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-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43898491
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43895820
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43895236
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)acetamide
CID 2912776
N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide
CID 113071268
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30225307
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43905897
3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 100596826
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898641
2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 131920436
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1160808
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43892823

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide (CID 43896302) is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide is CCC1CCCCN1CCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The InChIKey is QGUDYXXYWWRLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClF3N3O3S/c1-3-16-7-4-5-11-26(16)12-6-10-25-19(28)14-27(31(2,29)30)18-13-15(20(22,23)24)8-9-17(18)21/h8-9,13,16H,3-7,10-12,14H2,1-2H3,(H,25,28).
What are the key properties of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide has a molecular weight of 483.98 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 43896302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).