6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide

C18H17F3N4O4S — CID 155948722

IUPAC6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide
SMILESNC(=O)N1CCc2ccc(NC(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C18H17F3N4O4S/c19-18(20,21)12-2-1-3-14(8-12)30(28,29)23-10-16(26)24-13-5-4-11-6-7-25(17(22)27)15(11)9-13/h1-5,8-9,23H,6-7,10H2,(H2,22,27)(H,24,26)
InChIKeyTVLRCIAMCSJTOV-UHFFFAOYSA-N
MW442.42 g/mol
LogP2.06
Rot. Bonds5

About 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide

6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide (PubChem CID 155948722) has the molecular formula C18H17F3N4O4S and a molecular weight of 442.42 g/mol. Its IUPAC name is 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide
PubChem CID155948722
Molecular FormulaC18H17F3N4O4S
Molecular Weight442.42 g/mol
Exact Mass442.09
IUPAC Name6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide
SMILESNC(=O)N1CCc2ccc(NC(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C18H17F3N4O4S/c19-18(20,21)12-2-1-3-14(8-12)30(28,29)23-10-16(26)24-13-5-4-11-6-7-25(17(22)27)15(11)9-13/h1-5,8-9,23H,6-7,10H2,(H2,22,27)(H,24,26)
InChIKeyTVLRCIAMCSJTOV-UHFFFAOYSA-N
XLogP2.06
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 56545994
N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 86891705
N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide
CID 55549476
N-[4-[acetyl(methyl)amino]phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548568
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
2-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112999443
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550778
ethyl (E)-3-[4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]prop-2-enoate
CID 55462439
N-[6-(diethylamino)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545982
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 46384446
4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505
N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119612221

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide (CID 155948722) is 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide is NC(=O)N1CCc2ccc(NC(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide?
The InChIKey is TVLRCIAMCSJTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O4S/c19-18(20,21)12-2-1-3-14(8-12)30(28,29)23-10-16(26)24-13-5-4-11-6-7-25(17(22)27)15(11)9-13/h1-5,8-9,23H,6-7,10H2,(H2,22,27)(H,24,26).
What are the key properties of 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide?
6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide has a molecular weight of 442.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 155948722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).