(Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide

C14H19NOS — CID 10083423

IUPAC(Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C\SCc1ccccc1
InChIInChI=1S/C14H19NOS/c1-14(2,3)15-13(16)9-10-17-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,15,16)/b10-9-
InChIKeyCJXHFAZWLGBRKG-KTKRTIGZSA-N
MW249.38 g/mol
LogP3.35
Rot. Bonds4

About (Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide

(Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide (PubChem CID 10083423) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide
PubChem CID10083423
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C\SCc1ccccc1
InChIInChI=1S/C14H19NOS/c1-14(2,3)15-13(16)9-10-17-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,15,16)/b10-9-
InChIKeyCJXHFAZWLGBRKG-KTKRTIGZSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acetamide, 2-(benzylthio)-
CID 95209
6-(Benzylsulfanyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
CID 22332415
1-Propanesulfonic acid, 2-methyl-2-((1-oxo-2-propenyl)amino)-, polymer with ethenylbenzene
CID 3084964
N-tert-butyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 900385
N-[2-(benzylthio)ethyl]-3-phenylacrylamide
CID 2284565
N-[2-(tert-butylthio)ethyl]-3-(4-fluorophenyl)acrylamide
CID 2287752
N1-[2-(tert-butylthio)ethyl]-3-phenylacrylamide
CID 5713908
Cinnamamide, N-tert-butyl-
CID 5371857
N-tert-Butyl-2-p-tolylsulfanyl-acetamide
CID 846783
(E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide
CID 134141578
(5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one
CID 162657847
N-(2-methylsulfanylethyl)-3-phenylprop-2-enamide
CID 73826511

Frequently Asked Questions

What is the IUPAC name of (Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide?
The IUPAC name of (Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide (CID 10083423) is (Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide.
What is the SMILES notation for (Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide?
The canonical SMILES for (Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide is CC(C)(C)NC(=O)/C=C\SCc1ccccc1.
What is the InChIKey of (Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide?
The InChIKey is CJXHFAZWLGBRKG-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H19NOS/c1-14(2,3)15-13(16)9-10-17-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,15,16)/b10-9-.
What are the key properties of (Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide?
(Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide has a molecular weight of 249.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-benzylsulfanyl-N-tert-butylprop-2-enamide is sourced from PubChem (CID 10083423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).