N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide

C19H24N2O3S — CID 155538889

IUPACN-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide
SMILESC[C@H]1CC[C@@H](c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)C1
InChIInChI=1S/C19H24N2O3S/c1-12-3-4-13(9-12)17-11-21(2)18-10-14(5-8-16(17)18)19(22)20-25(23,24)15-6-7-15/h5,8,10-13,15H,3-4,6-7,9H2,1-2H3,(H,20,22)/t12-,13+/m0/s1
InChIKeyLSTKSEATDGHIEL-QWHCGFSZSA-N
MW360.48 g/mol
LogP3.30
Rot. Bonds4

About N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide

N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide (PubChem CID 155538889) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide
PubChem CID155538889
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide
SMILESC[C@H]1CC[C@@H](c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)C1
InChIInChI=1S/C19H24N2O3S/c1-12-3-4-13(9-12)17-11-21(2)18-10-14(5-8-16(17)18)19(22)20-25(23,24)15-6-7-15/h5,8,10-13,15H,3-4,6-7,9H2,1-2H3,(H,20,22)/t12-,13+/m0/s1
InChIKeyLSTKSEATDGHIEL-QWHCGFSZSA-N
XLogP3.30
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide
CID 60164834
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide
CID 11283333
N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-indole-6-carboxamide
CID 11318934
3-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)-propanamide
CID 11507880
(4-isopropylpiperazin-1-yl)(1-(methylsulfonyl)-3-(piperidin-1-ylmethyl)-1H-indol-6-yl)methanone
CID 25062200
3-cyclohexyl-N-(2-dimethylaminoethylsulfonyl)-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-indole-6-carboxamide
CID 44441608
N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1-methyl-1H-indole-6-carboxamide
CID 58328191
N-(5-(Cyclopropylcarbamoyl)-2-methylphenyl)-1-isopropyl-1H-indole-6-carboxamide
CID 58328294
1-Methyl-N-(methylsulfonyl)-3-phenyl-1H-indole-6-carboxamide
CID 132020408
US10550080, Example 48
CID 132020419
US10550080, Example 30
CID 132020468
US10550080, Example 31
CID 132020475

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide (CID 155538889) is N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide is C[C@H]1CC[C@@H](c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)C1.
What is the InChIKey of N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide?
The InChIKey is LSTKSEATDGHIEL-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-12-3-4-13(9-12)17-11-21(2)18-10-14(5-8-16(17)18)19(22)20-25(23,24)15-6-7-15/h5,8,10-13,15H,3-4,6-7,9H2,1-2H3,(H,20,22)/t12-,13+/m0/s1.
What are the key properties of N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide?
N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide is sourced from PubChem (CID 155538889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).