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

C17H21N3O3S — CID 47793828

IUPACN-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)N(C)C3(C#N)CCC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-12-9-14-10-13(5-6-15(14)20(12)24(3,22)23)16(21)19(2)17(11-18)7-4-8-17/h5-6,10,12H,4,7-9H2,1-3H3
InChIKeyHGEOUQCIGLABHM-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.92
Rot. Bonds3

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

N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 47793828) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID47793828
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)N(C)C3(C#N)CCC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-12-9-14-10-13(5-6-15(14)20(12)24(3,22)23)16(21)19(2)17(11-18)7-4-8-17/h5-6,10,12H,4,7-9H2,1-3H3
InChIKeyHGEOUQCIGLABHM-UHFFFAOYSA-N
XLogP1.92
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclobutyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 71883040
N-cyclohexyl-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55587589
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9481018
N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55519708
(2R)-N,2-dimethyl-N-[(4-methylphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51906979
2-[cyclopropyl-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]acetic acid
CID 125146961
azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 51200417
azepan-1-yl-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9036686
N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18117095
(2S)-N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 30796606
(2R)-N-(furan-2-ylmethyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27739678

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 47793828) is N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)N(C)C3(C#N)CCC3)ccc2N1S(C)(=O)=O.
What is the InChIKey of N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is HGEOUQCIGLABHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-9-14-10-13(5-6-15(14)20(12)24(3,22)23)16(21)19(2)17(11-18)7-4-8-17/h5-6,10,12H,4,7-9H2,1-3H3.
What are the key properties of N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 47793828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).