2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide

C17H26N2OS — CID 60599554

IUPAC2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
SMILESCC1Cc2ccccc2N1CCNC(=O)CSC(C)(C)C
InChIInChI=1S/C17H26N2OS/c1-13-11-14-7-5-6-8-15(14)19(13)10-9-18-16(20)12-21-17(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,18,20)
InChIKeyQIMLZEONFLWEQO-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.09
Rot. Bonds5

About 2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide

2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide (PubChem CID 60599554) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
PubChem CID60599554
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
SMILESCC1Cc2ccccc2N1CCNC(=O)CSC(C)(C)C
InChIInChI=1S/C17H26N2OS/c1-13-11-14-7-5-6-8-15(14)19(13)10-9-18-16(20)12-21-17(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,18,20)
InChIKeyQIMLZEONFLWEQO-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]butanamide;dihydrochloride
CID 119868408
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
2-(2-fluorophenyl)-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60616325
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3,5-dinitrobenzamide
CID 60599573
3-(3,5-dimethoxyphenyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599544
cis-(1R,3S)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 125120867
trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 124688900
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
2-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine
CID 111345353
1-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-2-oxopyridine-4-carboxamide
CID 95235616

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide (CID 60599554) is 2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide is CC1Cc2ccccc2N1CCNC(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide?
The InChIKey is QIMLZEONFLWEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-13-11-14-7-5-6-8-15(14)19(13)10-9-18-16(20)12-21-17(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,18,20).
What are the key properties of 2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide?
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide has a molecular weight of 306.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide is sourced from PubChem (CID 60599554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).