N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide

C12H15NOS — CID 107033485

IUPACN-ethyl-N-prop-2-enyl-2-sulfanylbenzamide
SMILESC=CCN(CC)C(=O)c1ccccc1S
InChIInChI=1S/C12H15NOS/c1-3-9-13(4-2)12(14)10-7-5-6-8-11(10)15/h3,5-8,15H,1,4,9H2,2H3
InChIKeyYRRAORKQMBSXQY-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.62
Rot. Bonds4

About N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide

N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide (PubChem CID 107033485) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-enyl-2-sulfanylbenzamide
PubChem CID107033485
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-ethyl-N-prop-2-enyl-2-sulfanylbenzamide
SMILESC=CCN(CC)C(=O)c1ccccc1S
InChIInChI=1S/C12H15NOS/c1-3-9-13(4-2)12(14)10-7-5-6-8-11(10)15/h3,5-8,15H,1,4,9H2,2H3
InChIKeyYRRAORKQMBSXQY-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide
CID 90242663
N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 80711534
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
N-ethyl-N-phenyl-N',N'-bis(prop-2-enyl)oxamide
CID 108516722
2-(ethenylamino)-N,N-diethylbenzamide
CID 10932915
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide
CID 102276029
N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide
CID 84559876
3-[ethyl-(2-prop-2-enoxybenzoyl)amino]-2-methylpropanoic acid
CID 62825771
N-ethyl-2-iodo-5-nitro-N-prop-2-enylbenzamide
CID 78983279
CID 59369605
CID 59369605
2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide
CID 112811410

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide?
The IUPAC name of N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide (CID 107033485) is N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide.
What is the SMILES notation for N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide?
The canonical SMILES for N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide is C=CCN(CC)C(=O)c1ccccc1S.
What is the InChIKey of N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide?
The InChIKey is YRRAORKQMBSXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-3-9-13(4-2)12(14)10-7-5-6-8-11(10)15/h3,5-8,15H,1,4,9H2,2H3.
What are the key properties of N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide?
N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide has a molecular weight of 221.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide is sourced from PubChem (CID 107033485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).