N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide

C15H15NOS2 — CID 9399909

IUPACN-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESC=CCNC(=O)c1ccccc1SCc1cccs1
InChIInChI=1S/C15H15NOS2/c1-2-9-16-15(17)13-7-3-4-8-14(13)19-11-12-6-5-10-18-12/h2-8,10H,1,9,11H2,(H,16,17)
InChIKeyPAECMXDVAACSAT-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.96
Rot. Bonds6

About N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 9399909) has the molecular formula C15H15NOS2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID9399909
Molecular FormulaC15H15NOS2
Molecular Weight289.43 g/mol
Exact Mass289.06
IUPAC NameN-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESC=CCNC(=O)c1ccccc1SCc1cccs1
InChIInChI=1S/C15H15NOS2/c1-2-9-16-15(17)13-7-3-4-8-14(13)19-11-12-6-5-10-18-12/h2-8,10H,1,9,11H2,(H,16,17)
InChIKeyPAECMXDVAACSAT-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24533628
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766
N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 34732993
N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24513660
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18227464
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55979886
N-(4-pyrrolidin-1-ylphenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18205229
N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55530430

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 9399909) is N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide is C=CCNC(=O)c1ccccc1SCc1cccs1.
What is the InChIKey of N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is PAECMXDVAACSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS2/c1-2-9-16-15(17)13-7-3-4-8-14(13)19-11-12-6-5-10-18-12/h2-8,10H,1,9,11H2,(H,16,17).
What are the key properties of N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 289.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 9399909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).