2-benzhydrylsulfanyl-N-prop-2-enylacetamide

C18H19NOS — CID 47003831

IUPAC2-benzhydrylsulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NOS/c1-2-13-19-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,18H,1,13-14H2,(H,19,20)
InChIKeyYYSHCHWLZNNGIT-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.81
Rot. Bonds7

About 2-benzhydrylsulfanyl-N-prop-2-enylacetamide

2-benzhydrylsulfanyl-N-prop-2-enylacetamide (PubChem CID 47003831) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-prop-2-enylacetamide
PubChem CID47003831
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2-benzhydrylsulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NOS/c1-2-13-19-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,18H,1,13-14H2,(H,19,20)
InChIKeyYYSHCHWLZNNGIT-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Phenylthiomorpholin-3-one
CID 20242416
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
Deoxy modafinil
CID 9965017
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
2-[(4-fluorobenzyl)thio]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3324373
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086402

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-prop-2-enylacetamide (CID 47003831) is 2-benzhydrylsulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfanyl-N-prop-2-enylacetamide?
The InChIKey is YYSHCHWLZNNGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-2-13-19-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,18H,1,13-14H2,(H,19,20).
What are the key properties of 2-benzhydrylsulfanyl-N-prop-2-enylacetamide?
2-benzhydrylsulfanyl-N-prop-2-enylacetamide has a molecular weight of 297.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 47003831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).