2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide

C21H24N2O2S — CID 60608468

IUPAC2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O2S/c1-21(2,3)26-14-19(24)22-17-10-8-16(9-11-17)20(25)23-13-12-15-6-4-5-7-18(15)23/h4-11H,12-14H2,1-3H3,(H,22,24)
InChIKeyUUJKJBLXPFEBAY-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.36
Rot. Bonds4

About 2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide

2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide (PubChem CID 60608468) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
PubChem CID60608468
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O2S/c1-21(2,3)26-14-19(24)22-17-10-8-16(9-11-17)20(25)23-13-12-15-6-4-5-7-18(15)23/h4-11H,12-14H2,1-3H3,(H,22,24)
InChIKeyUUJKJBLXPFEBAY-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119761261
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
(2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide
CID 119761273
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
2-(4-methylanilino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608007
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119761289
2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608252
2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
CID 119761284
2-[4-(acetamidomethyl)anilino]-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 139795648
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 34818899

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide (CID 60608468) is 2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide is CC(C)(C)SCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide?
The InChIKey is UUJKJBLXPFEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-21(2,3)26-14-19(24)22-17-10-8-16(9-11-17)20(25)23-13-12-15-6-4-5-7-18(15)23/h4-11H,12-14H2,1-3H3,(H,22,24).
What are the key properties of 2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide?
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide has a molecular weight of 368.50 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 60608468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).