4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide

C16H19NOS2 — CID 86976136

IUPAC4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C16H19NOS2/c1-3-9-17(10-4-2)15(18)13-5-7-14(8-6-13)16-19-11-12-20-16/h3-8,16H,1-2,9-12H2
InChIKeyYKJYFLIXNMXSGY-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.98
Rot. Bonds6

About 4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide

4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide (PubChem CID 86976136) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide
PubChem CID86976136
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC Name4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C16H19NOS2/c1-3-9-17(10-4-2)15(18)13-5-7-14(8-6-13)16-19-11-12-20-16/h3-8,16H,1-2,9-12H2
InChIKeyYKJYFLIXNMXSGY-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
2-[[4-(1,3-dithiolan-2-yl)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189107
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
N-[2-(dimethylamino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 78882701
N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
CID 119582994
2-(4-prop-2-enoxyphenyl)-1,3-dithiolane
CID 11230160
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide
CID 66573946
N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464293
4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide
CID 102603422
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide (CID 86976136) is 4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(C2SCCS2)cc1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is YKJYFLIXNMXSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS2/c1-3-9-17(10-4-2)15(18)13-5-7-14(8-6-13)16-19-11-12-20-16/h3-8,16H,1-2,9-12H2.
What are the key properties of 4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide?
4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 305.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 86976136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).