N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C27H35F3N2O5S — CID 58326270

IUPACN-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)CCC(F)(F)F)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1
InChIInChI=1S/C27H35F3N2O5S/c1-3-31(17-21(33)9-12-27(28,29)30)26(34)20-6-8-25-23(16-20)22-15-19(18-10-13-37-14-11-18)5-7-24(22)32(25)38(35,36)4-2/h6,8,16,18-19H,3-5,7,9-15,17H2,1-2H3
InChIKeyQHJCYLRNVRJBOS-UHFFFAOYSA-N
MW556.65 g/mol
LogP4.74
Rot. Bonds9

About N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 58326270) has the molecular formula C27H35F3N2O5S and a molecular weight of 556.65 g/mol. Its IUPAC name is N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID58326270
Molecular FormulaC27H35F3N2O5S
Molecular Weight556.65 g/mol
Exact Mass556.22
IUPAC NameN-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)CCC(F)(F)F)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1
InChIInChI=1S/C27H35F3N2O5S/c1-3-31(17-21(33)9-12-27(28,29)30)26(34)20-6-8-25-23(16-20)22-15-19(18-10-13-37-14-11-18)5-7-24(22)32(25)38(35,36)4-2/h6,8,16,18-19H,3-5,7,9-15,17H2,1-2H3
InChIKeyQHJCYLRNVRJBOS-UHFFFAOYSA-N
XLogP4.74
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.65
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-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

Unii-4L8EG56vda
CID 24894028
8-[(4-methylpiperidin-1-yl)carbonyl]-5-(propylsulfonyl)-2-(tetrahydro-2H-pyran-4-yl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 11853349
8-[(4-methylpiperidin-1-yl)carbonyl]-5-(propylsulfonyl)-2-(tetrahydrofuran-3-yl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 11853588
(2-cyclopentyl-5-methylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
CID 11853590
8-[(4-methylpiperidin-1-yl)carbonyl]-5-(methylsulfonyl)-2-(tetrahydro-2H-pyran-4-yl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 11853591
(2-cyclopentyl-5-ethylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
CID 11853844
N-(4-(Methylamino)-4-oxobutyl)-N-methyl-9-methyl-3-(tetrahydro-2H-pyran-4-yl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
CID 25197227
1-[(2,5-difluorophenyl)methyl]-5-ethyl-N-ethylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25226010
(9-pentyl-9H-carbazol-3-yl)(1,1-dioxo-thiomorpholino)methanone
CID 56651352
1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 56951111
1-[(2,5-difluorophenyl)methyl]-N-isopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 56951112
1-[(2,5-difluorophenyl)methyl]-5-ethyl-N-isopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 56951237

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 58326270) is N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CCN(CC(=O)CCC(F)(F)F)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.
What is the InChIKey of N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is QHJCYLRNVRJBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N2O5S/c1-3-31(17-21(33)9-12-27(28,29)30)26(34)20-6-8-25-23(16-20)22-15-19(18-10-13-37-14-11-18)5-7-24(22)32(25)38(35,36)4-2/h6,8,16,18-19H,3-5,7,9-15,17H2,1-2H3.
What are the key properties of N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 556.65 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-(5,5,5-trifluoro-2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 58326270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).