2-phenylsulfanyl-N-prop-2-ynylacetamide

C11H11NOS — CID 78792428

IUPAC2-phenylsulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSc1ccccc1
InChIInChI=1S/C11H11NOS/c1-2-8-12-11(13)9-14-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,12,13)
InChIKeyOXLPJNHQPBSONM-UHFFFAOYSA-N
MW205.28 g/mol
LogP1.53
Rot. Bonds4

About 2-phenylsulfanyl-N-prop-2-ynylacetamide

2-phenylsulfanyl-N-prop-2-ynylacetamide (PubChem CID 78792428) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-prop-2-ynylacetamide
PubChem CID78792428
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-phenylsulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSc1ccccc1
InChIInChI=1S/C11H11NOS/c1-2-8-12-11(13)9-14-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,12,13)
InChIKeyOXLPJNHQPBSONM-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26570912
2-(3-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 78924791
2-[3-(aminomethyl)phenyl]sulfanyl-N-prop-2-ynylacetamide
CID 66353280
2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26579620
2-[3-[(tert-butylamino)methyl]phenyl]sulfanyl-N-prop-2-ynylacetamide
CID 66348310
[2-oxo-2-(prop-2-ynylamino)ethyl] 3-phenylsulfanylpropanoate
CID 9491705
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
3,3-diphenyl-N-prop-2-ynylpropanamide
CID 30600997
2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid
CID 43387626
2-phenylsulfanylacetohydrazide
CID 7037418
N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-phenylsulfanyl-N-prop-2-ynylacetamide (CID 78792428) is 2-phenylsulfanyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-phenylsulfanyl-N-prop-2-ynylacetamide is C#CCNC(=O)CSc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-prop-2-ynylacetamide?
The InChIKey is OXLPJNHQPBSONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-8-12-11(13)9-14-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,12,13).
What are the key properties of 2-phenylsulfanyl-N-prop-2-ynylacetamide?
2-phenylsulfanyl-N-prop-2-ynylacetamide has a molecular weight of 205.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 78792428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).