N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide

C19H29N3O3S — CID 9468005

IUPACN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C
InChIInChI=1S/C19H29N3O3S/c1-12-5-4-6-17(14(12)3)21-19(23)11-22-13(2)9-15-10-16(26(20,24)25)7-8-18(15)22/h7-8,10,12-14,17H,4-6,9,11H2,1-3H3,(H,21,23)(H2,20,24,25)/t12-,13-,14+,17+/m1/s1
InChIKeySSAJAFYIYUBQHV-WVZRYYJFSA-N
MW379.53 g/mol
LogP2.03
Rot. Bonds4

About N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 9468005) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID9468005
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C
InChIInChI=1S/C19H29N3O3S/c1-12-5-4-6-17(14(12)3)21-19(23)11-22-13(2)9-15-10-16(26(20,24)25)7-8-18(15)22/h7-8,10,12-14,17H,4-6,9,11H2,1-3H3,(H,21,23)(H2,20,24,25)/t12-,13-,14+,17+/m1/s1
InChIKeySSAJAFYIYUBQHV-WVZRYYJFSA-N
XLogP2.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide with MolForge

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 40939764
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 11920413
N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 98678027
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 34919205
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 98678385
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 40809955
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 98472786
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 129376552
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11932643
N-(2,3-dimethylcyclohexyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 42913737

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide (CID 9468005) is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C.
What is the InChIKey of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is SSAJAFYIYUBQHV-WVZRYYJFSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-12-5-4-6-17(14(12)3)21-19(23)11-22-13(2)9-15-10-16(26(20,24)25)7-8-18(15)22/h7-8,10,12-14,17H,4-6,9,11H2,1-3H3,(H,21,23)(H2,20,24,25)/t12-,13-,14+,17+/m1/s1.
What are the key properties of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 379.53 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 9468005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).