N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C23H27F3N4O2S — CID 54137663

IUPACN-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)N(C)CCN(C)C)c1)CC2
InChIInChI=1S/C23H27F3N4O2S/c1-28(2)10-11-29(3)21(31)16-6-5-7-17(12-16)27-22(32)30-9-8-15-13-20(33-4)18(14-19(15)30)23(24,25)26/h5-7,12-14H,8-11H2,1-4H3,(H,27,32)
InChIKeyNYVUZHLQZJQUTF-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.66
Rot. Bonds6

About N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 54137663) has the molecular formula C23H27F3N4O2S and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID54137663
Molecular FormulaC23H27F3N4O2S
Molecular Weight480.56 g/mol
Exact Mass480.18
IUPAC NameN-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)N(C)CCN(C)C)c1)CC2
InChIInChI=1S/C23H27F3N4O2S/c1-28(2)10-11-29(3)21(31)16-6-5-7-17(12-16)27-22(32)30-9-8-15-13-20(33-4)18(14-19(15)30)23(24,25)26/h5-7,12-14H,8-11H2,1-4H3,(H,27,32)
InChIKeyNYVUZHLQZJQUTF-UHFFFAOYSA-N
XLogP4.66
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 18005194
5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10714852
[5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carbonyl]-phenylcarbamic acid
CID 57249793
5-methoxy-N-phenyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10640590
5-methoxy-N-[3-(2-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10550406
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
CID 54030708
N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 67595367
5-methoxy-N-(5-phenyl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10835537
5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 139769221
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695114
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833634

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 54137663) is N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)N(C)CCN(C)C)c1)CC2.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is NYVUZHLQZJQUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2S/c1-28(2)10-11-29(3)21(31)16-6-5-7-17(12-16)27-22(32)30-9-8-15-13-20(33-4)18(14-19(15)30)23(24,25)26/h5-7,12-14H,8-11H2,1-4H3,(H,27,32).
What are the key properties of N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 54137663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).