3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide

C25H31N3O4S — CID 20917406

IUPAC3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)cc1N(C)C
InChIInChI=1S/C25H31N3O4S/c1-16-5-8-20(15-23(16)27(3)4)26-24(29)11-12-33(31,32)21-9-10-22-19(14-21)13-17(2)28(22)25(30)18-6-7-18/h5,8-10,14-15,17-18H,6-7,11-13H2,1-4H3,(H,26,29)
InChIKeyDRGOUHMOSRIBPB-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.55
Rot. Bonds7

About 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide

3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide (PubChem CID 20917406) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide
PubChem CID20917406
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)cc1N(C)C
InChIInChI=1S/C25H31N3O4S/c1-16-5-8-20(15-23(16)27(3)4)26-24(29)11-12-33(31,32)21-9-10-22-19(14-21)13-17(2)28(22)25(30)18-6-7-18/h5,8-10,14-15,17-18H,6-7,11-13H2,1-4H3,(H,26,29)
InChIKeyDRGOUHMOSRIBPB-UHFFFAOYSA-N
XLogP3.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)propanamide
CID 20917384
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,4-dimethylphenyl)propanamide
CID 20917376
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036
N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide
CID 92722877
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 20917390
N-(4-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853326
2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 20901762
2-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 46276287
N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853318
ethyl 3-[3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoate
CID 20853323
N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687986
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 20950695

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide (CID 20917406) is 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide is Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)cc1N(C)C.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide?
The InChIKey is DRGOUHMOSRIBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-16-5-8-20(15-23(16)27(3)4)26-24(29)11-12-33(31,32)21-9-10-22-19(14-21)13-17(2)28(22)25(30)18-6-7-18/h5,8-10,14-15,17-18H,6-7,11-13H2,1-4H3,(H,26,29).
What are the key properties of 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide?
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide has a molecular weight of 469.61 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide is sourced from PubChem (CID 20917406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).