N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C17H22N4O3S — CID 55683149

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C17H22N4O3S/c1-12(10-20-7-6-18-11-20)19-17(22)14-4-5-16-15(9-14)8-13(2)21(16)25(3,23)24/h4-7,9,11-13H,8,10H2,1-3H3,(H,19,22)
InChIKeyHIPJMWRUKQKMDE-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.41
Rot. Bonds5

About N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55683149) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55683149
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C17H22N4O3S/c1-12(10-20-7-6-18-11-20)19-17(22)14-4-5-16-15(9-14)8-13(2)21(16)25(3,23)24/h4-7,9,11-13H,8,10H2,1-3H3,(H,19,22)
InChIKeyHIPJMWRUKQKMDE-UHFFFAOYSA-N
XLogP1.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
(2S)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27784766
(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 92671060
(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 30464060
2-methyl-1-methylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43906863
(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 27754729
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
(2S)-N-[(1R)-1-(4-chlorophenyl)propyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41490223
N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46821100
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-nitrobenzamide
CID 62682502

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55683149) is N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC(Cn1ccnc1)NC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is HIPJMWRUKQKMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12(10-20-7-6-18-11-20)19-17(22)14-4-5-16-15(9-14)8-13(2)21(16)25(3,23)24/h4-7,9,11-13H,8,10H2,1-3H3,(H,19,22).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55683149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).