(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide

C18H25N3O4S — CID 9327258

IUPAC(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
SMILESC[C@H]1Cc2cc(C(=O)NNC(=O)C3CCCCC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H25N3O4S/c1-12-10-15-11-14(8-9-16(15)21(12)26(2,24)25)18(23)20-19-17(22)13-6-4-3-5-7-13/h8-9,11-13H,3-7,10H2,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyVJQYGWJIHBXREY-LBPRGKRZSA-N
MW379.48 g/mol
LogP1.74
Rot. Bonds3

About (2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide

(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide (PubChem CID 9327258) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is (2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
PubChem CID9327258
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
SMILESC[C@H]1Cc2cc(C(=O)NNC(=O)C3CCCCC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H25N3O4S/c1-12-10-15-11-14(8-9-16(15)21(12)26(2,24)25)18(23)20-19-17(22)13-6-4-3-5-7-13/h8-9,11-13H,3-7,10H2,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyVJQYGWJIHBXREY-LBPRGKRZSA-N
XLogP1.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
(2R)-N'-(2-chlorobenzoyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9037439
(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
N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 46656696
(2S)-N-[4-(azepan-1-yl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9279034
2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51221584
N-cyclohexyl-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55587589
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(3R)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 129491377
N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55519708

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The IUPAC name of (2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide (CID 9327258) is (2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide.
What is the SMILES notation for (2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The canonical SMILES for (2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide is C[C@H]1Cc2cc(C(=O)NNC(=O)C3CCCCC3)ccc2N1S(C)(=O)=O.
What is the InChIKey of (2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The InChIKey is VJQYGWJIHBXREY-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-12-10-15-11-14(8-9-16(15)21(12)26(2,24)25)18(23)20-19-17(22)13-6-4-3-5-7-13/h8-9,11-13H,3-7,10H2,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide has a molecular weight of 379.48 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide is sourced from PubChem (CID 9327258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).