1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone

C19H22N2OS — CID 177246549

IUPAC1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCCCc1ccc(SNc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C19H22N2OS/c1-3-4-15-5-8-18(9-6-15)23-20-17-7-10-19-16(13-17)11-12-21(19)14(2)22/h5-10,13,20H,3-4,11-12H2,1-2H3
InChIKeyCLWKFRXRTCAQMS-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.67
Rot. Bonds5

About 1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 177246549) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID177246549
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCCCc1ccc(SNc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C19H22N2OS/c1-3-4-15-5-8-18(9-6-15)23-20-17-7-10-19-16(13-17)11-12-21(19)14(2)22/h5-10,13,20H,3-4,11-12H2,1-2H3
InChIKeyCLWKFRXRTCAQMS-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
1-[5-(hydroxymethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone
CID 117033391
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684593
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]butanoic acid
CID 115352545

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone (CID 177246549) is 1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone is CCCc1ccc(SNc2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of 1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is CLWKFRXRTCAQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-3-4-15-5-8-18(9-6-15)23-20-17-7-10-19-16(13-17)11-12-21(19)14(2)22/h5-10,13,20H,3-4,11-12H2,1-2H3.
What are the key properties of 1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 326.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 177246549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).