N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide

C25H29N3O3S — CID 142389886

IUPACN-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC=C(NCc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C25H29N3O3S/c1-3-28(25(29)24-15-19-7-4-5-10-23(19)27-24)21-9-6-8-20(16-21)26-17-18-11-13-22(14-12-18)32(2,30)31/h4-5,7-8,10-15,21,26-27H,3,6,9,16-17H2,1-2H3/t21-/m0/s1
InChIKeyCNJQFKOYQYOCNX-NRFANRHFSA-N
MW451.59 g/mol
LogP4.26
Rot. Bonds7

About N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide

N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide (PubChem CID 142389886) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide
PubChem CID142389886
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC=C(NCc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C25H29N3O3S/c1-3-28(25(29)24-15-19-7-4-5-10-23(19)27-24)21-9-6-8-20(16-21)26-17-18-11-13-22(14-12-18)32(2,30)31/h4-5,7-8,10-15,21,26-27H,3,6,9,16-17H2,1-2H3/t21-/m0/s1
InChIKeyCNJQFKOYQYOCNX-NRFANRHFSA-N
XLogP4.26
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(1S)-3-(pyrimidin-2-ylmethylamino)cyclohex-3-en-1-yl]-1H-indole-2-carboxamide
CID 155076942
N-[3-(benzylamino)cyclohex-3-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 135170788
N-[(1S)-3-(benzylamino)-3-sulfanylcyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 170108839
N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171015
N-[(1S)-3-(1,3-benzoxazol-5-ylmethylamino)cyclohex-2-en-1-yl]-N-ethyl-1H-indole-2-carboxamide
CID 155077123
N-ethyl-N-[(1S,3R)-3-[[4-(methyldiazenyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 170113162
N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 161347630
N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 135171326
N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 135171025
tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate
CID 135170778
N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171020
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide (CID 142389886) is N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC=C(NCc2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide?
The InChIKey is CNJQFKOYQYOCNX-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-3-28(25(29)24-15-19-7-4-5-10-23(19)27-24)21-9-6-8-20(16-21)26-17-18-11-13-22(14-12-18)32(2,30)31/h4-5,7-8,10-15,21,26-27H,3,6,9,16-17H2,1-2H3/t21-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide?
N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 142389886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).