1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide

C19H28N2O4S — CID 20901692

IUPAC1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)C1CC1
InChIInChI=1S/C19H28N2O4S/c1-13(2)25-10-4-9-20-26(23,24)17-7-8-18-16(12-17)11-14(3)21(18)19(22)15-5-6-15/h7-8,12-15,20H,4-6,9-11H2,1-3H3
InChIKeyDBBGYTNOKNWWDN-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.47
Rot. Bonds8

About 1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 20901692) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID20901692
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)C1CC1
InChIInChI=1S/C19H28N2O4S/c1-13(2)25-10-4-9-20-26(23,24)17-7-8-18-16(12-17)11-14(3)21(18)19(22)15-5-6-15/h7-8,12-15,20H,4-6,9-11H2,1-3H3
InChIKeyDBBGYTNOKNWWDN-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide
CID 20969982
N-cycloheptyl-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687952
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92688041
N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687986
N-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46274896
1-(cyclopropanecarbonyl)-2-methyl-N-morpholin-4-yl-2,3-dihydroindole-5-sulfonamide
CID 6624196
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 92687932
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 92863752
1-(cyclopropanecarbonyl)-2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20901711
1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 20903291
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92688011

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide (CID 20901692) is 1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide is CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DBBGYTNOKNWWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-13(2)25-10-4-9-20-26(23,24)17-7-8-18-16(12-17)11-14(3)21(18)19(22)15-5-6-15/h7-8,12-15,20H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 380.51 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20901692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).