N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide

C18H21N3O2S — CID 176928038

IUPACN-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)NCCN2CCc3ccccc32)cc1
InChIInChI=1S/C18H21N3O2S/c1-14(22)20-16-6-8-17(9-7-16)24(23)19-11-13-21-12-10-15-4-2-3-5-18(15)21/h2-9,19H,10-13H2,1H3,(H,20,22)
InChIKeyNEGPNQGFGDUYLD-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.32
Rot. Bonds6

About N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide

N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide (PubChem CID 176928038) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide
PubChem CID176928038
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)NCCN2CCc3ccccc32)cc1
InChIInChI=1S/C18H21N3O2S/c1-14(22)20-16-6-8-17(9-7-16)24(23)19-11-13-21-12-10-15-4-2-3-5-18(15)21/h2-9,19H,10-13H2,1H3,(H,20,22)
InChIKeyNEGPNQGFGDUYLD-UHFFFAOYSA-N
XLogP2.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethoxy]phenyl]acetamide
CID 71912035
methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate
CID 71893155
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 164615346
N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034837
2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea
CID 100678157
1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole
CID 42962003
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 42428482

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide (CID 176928038) is N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)NCCN2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide?
The InChIKey is NEGPNQGFGDUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14(22)20-16-6-8-17(9-7-16)24(23)19-11-13-21-12-10-15-4-2-3-5-18(15)21/h2-9,19H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide?
N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide is sourced from PubChem (CID 176928038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).