N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide

C23H21F3N2O3S — CID 162762537

IUPACN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C2=CCS(=O)(=O)CC2)cc2cc[nH]c12)c1cccc(C(F)F)c1F
InChIInChI=1S/C23H21F3N2O3S/c1-13(17-3-2-4-18(20(17)24)22(25)26)28-23(29)19-12-16(11-15-5-8-27-21(15)19)14-6-9-32(30,31)10-7-14/h2-6,8,11-13,22,27H,7,9-10H2,1H3,(H,28,29)/t13-/m1/s1
InChIKeyRDYPXNOKNYXXDE-CYBMUJFWSA-N
MW462.49 g/mol
LogP4.94
Rot. Bonds5

About N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide (PubChem CID 162762537) has the molecular formula C23H21F3N2O3S and a molecular weight of 462.49 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide
PubChem CID162762537
Molecular FormulaC23H21F3N2O3S
Molecular Weight462.49 g/mol
Exact Mass462.12
IUPAC NameN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C2=CCS(=O)(=O)CC2)cc2cc[nH]c12)c1cccc(C(F)F)c1F
InChIInChI=1S/C23H21F3N2O3S/c1-13(17-3-2-4-18(20(17)24)22(25)26)28-23(29)19-12-16(11-15-5-8-27-21(15)19)14-6-9-32(30,31)10-7-14/h2-6,8,11-13,22,27H,7,9-10H2,1H3,(H,28,29)/t13-/m1/s1
InChIKeyRDYPXNOKNYXXDE-CYBMUJFWSA-N
XLogP4.94
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-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

5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide
CID 175936449
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide
CID 162762200
5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 164564411
tert-butyl 4-[7-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]carbamoyl]-2H-benzotriazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 164564415
6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[2-fluoro-3-(1-fluoroethyl)phenyl]ethyl]-2H-benzotriazole-4-carboxamide
CID 167151118
2-amino-4-(difluoromethyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-morpholin-4-ylbenzamide
CID 170630178
tert-butyl 4-[7-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]carbamoyl]-1H-indazol-5-yl]piperazine-1-carboxylate
CID 164564377
1-(1-bicyclo[1.1.1]pentanyl)-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 175934929
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-methoxy-6-(1-methylidene-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 170568542
(5aR)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-morpholin-4-yl-6,7,8,9-tetrahydro-5aH-pyridazino[1,6-a]benzimidazol-10-ium-4-carboxamide
CID 177158032
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 103856743
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-fluoro-5-(1-methyl-2-oxo-4-pyridinyl)-2-[(1-methylpiperidin-4-yl)amino]benzamide
CID 176888777

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide (CID 162762537) is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide is C[C@@H](NC(=O)c1cc(C2=CCS(=O)(=O)CC2)cc2cc[nH]c12)c1cccc(C(F)F)c1F.
What is the InChIKey of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide?
The InChIKey is RDYPXNOKNYXXDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H21F3N2O3S/c1-13(17-3-2-4-18(20(17)24)22(25)26)28-23(29)19-12-16(11-15-5-8-27-21(15)19)14-6-9-32(30,31)10-7-14/h2-6,8,11-13,22,27H,7,9-10H2,1H3,(H,28,29)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide?
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 162762537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).