N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

C17H19NOS — CID 47320973

IUPACN-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccc2ccccc12)NCC1CC1
InChIInChI=1S/C17H19NOS/c19-17(18-10-13-8-9-13)12-20-11-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13H,8-12H2,(H,18,19)
InChIKeyQBYMJCGUZAHMEG-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.60
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (PubChem CID 47320973) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
PubChem CID47320973
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccc2ccccc12)NCC1CC1
InChIInChI=1S/C17H19NOS/c19-17(18-10-13-8-9-13)12-20-11-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13H,8-12H2,(H,18,19)
InChIKeyQBYMJCGUZAHMEG-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (CID 47320973) is N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is O=C(CSCc1cccc2ccccc12)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The InChIKey is QBYMJCGUZAHMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-17(18-10-13-8-9-13)12-20-11-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13H,8-12H2,(H,18,19).
What are the key properties of N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide has a molecular weight of 285.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 47320973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).