2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C22H26F3N3O3S — CID 60524322

IUPAC2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(c1cccc(C(F)(F)F)c1)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1
InChIInChI=1S/C22H26F3N3O3S/c1-15(17-3-2-4-18(13-17)22(23,24)25)28(19-7-8-19)14-21(29)27-12-11-16-5-9-20(10-6-16)32(26,30)31/h2-6,9-10,13,15,19H,7-8,11-12,14H2,1H3,(H,27,29)(H2,26,30,31)
InChIKeyYVTPHSPFZHRLLW-UHFFFAOYSA-N
MW469.53 g/mol
LogP3.24
Rot. Bonds9

About 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 60524322) has the molecular formula C22H26F3N3O3S and a molecular weight of 469.53 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID60524322
Molecular FormulaC22H26F3N3O3S
Molecular Weight469.53 g/mol
Exact Mass469.16
IUPAC Name2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(c1cccc(C(F)(F)F)c1)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1
InChIInChI=1S/C22H26F3N3O3S/c1-15(17-3-2-4-18(13-17)22(23,24)25)28(19-7-8-19)14-21(29)27-12-11-16-5-9-20(10-6-16)32(26,30)31/h2-6,9-10,13,15,19H,7-8,11-12,14H2,1H3,(H,27,29)(H2,26,30,31)
InChIKeyYVTPHSPFZHRLLW-UHFFFAOYSA-N
XLogP3.24
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide
CID 60524200
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 55861033
N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3640741
N-tert-butyl-2-[[2-[cyclopropyl-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-methylamino]acetamide
CID 52736270
N-tert-butyl-2-[[2-[cyclopropyl-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-methylamino]acetamide
CID 52736272
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60513164
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 29155171
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide
CID 60568133
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30474620
N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112820407
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 4833414

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 60524322) is 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CC(c1cccc(C(F)(F)F)c1)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is YVTPHSPFZHRLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3S/c1-15(17-3-2-4-18(13-17)22(23,24)25)28(19-7-8-19)14-21(29)27-12-11-16-5-9-20(10-6-16)32(26,30)31/h2-6,9-10,13,15,19H,7-8,11-12,14H2,1H3,(H,27,29)(H2,26,30,31).
What are the key properties of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 469.53 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 60524322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).