N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C16H19N3O3S — CID 71883040

IUPACN-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)NC3(C#N)CCC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H19N3O3S/c1-11-8-13-9-12(4-5-14(13)19(11)23(2,21)22)15(20)18-16(10-17)6-3-7-16/h4-5,9,11H,3,6-8H2,1-2H3,(H,18,20)
InChIKeyPFEDHCGQOQJSSD-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.57
Rot. Bonds3

About N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 71883040) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID71883040
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)NC3(C#N)CCC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H19N3O3S/c1-11-8-13-9-12(4-5-14(13)19(11)23(2,21)22)15(20)18-16(10-17)6-3-7-16/h4-5,9,11H,3,6-8H2,1-2H3,(H,18,20)
InChIKeyPFEDHCGQOQJSSD-UHFFFAOYSA-N
XLogP1.57
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 47793828
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
(2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51923439
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9481018
2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
CID 17485264
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2R)-N-(2-methoxyethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452572
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 30464060

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 71883040) is N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)NC3(C#N)CCC3)ccc2N1S(C)(=O)=O.
What is the InChIKey of N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is PFEDHCGQOQJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-8-13-9-12(4-5-14(13)19(11)23(2,21)22)15(20)18-16(10-17)6-3-7-16/h4-5,9,11H,3,6-8H2,1-2H3,(H,18,20).
What are the key properties of N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 71883040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).