N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide

C19H25N3O4S — CID 89237716

IUPACN-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C19H25N3O4S/c1-3-18(23)20-10-4-11-21(2)27(25,26)16-7-8-17-15(13-16)9-12-22(17)19(24)14-5-6-14/h3,7-8,13-14H,1,4-6,9-12H2,2H3,(H,20,23)
InChIKeyAYGXAPXWFBZQFH-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.30
Rot. Bonds8

About N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide

N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide (PubChem CID 89237716) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide
PubChem CID89237716
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C19H25N3O4S/c1-3-18(23)20-10-4-11-21(2)27(25,26)16-7-8-17-15(13-16)9-12-22(17)19(24)14-5-6-14/h3,7-8,13-14H,1,4-6,9-12H2,2H3,(H,20,23)
InChIKeyAYGXAPXWFBZQFH-UHFFFAOYSA-N
XLogP1.30
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
N-butyl-1-(cyclobutanecarbonyl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 15999100
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853285
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
4-[5-[butyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864308
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769945
1-acetyl-N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 17488819
N-[4-[methyl-[3-(prop-2-enoylamino)propyl]sulfamoyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 89237286
4-[methyl-[3-(prop-2-enoylamino)propyl]sulfamoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 89239167

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide?
The IUPAC name of N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide (CID 89237716) is N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide is C=CC(=O)NCCCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1.
What is the InChIKey of N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide?
The InChIKey is AYGXAPXWFBZQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-18(23)20-10-4-11-21(2)27(25,26)16-7-8-17-15(13-16)9-12-22(17)19(24)14-5-6-14/h3,7-8,13-14H,1,4-6,9-12H2,2H3,(H,20,23).
What are the key properties of N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide?
N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide has a molecular weight of 391.49 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide is sourced from PubChem (CID 89237716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).