N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide

C15H21NOS — CID 60652410

IUPACN-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
SMILESCCC(C)NC(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NOS/c1-3-11(2)16-15(17)10-18-14-8-7-12-5-4-6-13(12)9-14/h7-9,11H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyCIJCMRPAYKJPHD-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.18
Rot. Bonds5

About N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide

N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide (PubChem CID 60652410) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
PubChem CID60652410
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
SMILESCCC(C)NC(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NOS/c1-3-11(2)16-15(17)10-18-14-8-7-12-5-4-6-13(12)9-14/h7-9,11H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyCIJCMRPAYKJPHD-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]butanoic acid
CID 43388183
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478875
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357695
N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46591264
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide
CID 86881488
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46657290
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide (CID 60652410) is N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide is CCC(C)NC(=O)CSc1ccc2c(c1)CCC2.
What is the InChIKey of N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The InChIKey is CIJCMRPAYKJPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-3-11(2)16-15(17)10-18-14-8-7-12-5-4-6-13(12)9-14/h7-9,11H,3-6,10H2,1-2H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide has a molecular weight of 263.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide is sourced from PubChem (CID 60652410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).