N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide

C17H21NOS2 — CID 36573754

IUPACN-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide
SMILESO=C(NC(C1CC1)C1CC1)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C17H21NOS2/c19-16(18-15(11-1-2-11)12-3-4-12)13-5-7-14(8-6-13)17-20-9-10-21-17/h5-8,11-12,15,17H,1-4,9-10H2,(H,18,19)
InChIKeyFNSXWQNJHTXMNI-UHFFFAOYSA-N
MW319.50 g/mol
LogP4.08
Rot. Bonds5

About N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide

N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide (PubChem CID 36573754) has the molecular formula C17H21NOS2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide
PubChem CID36573754
Molecular FormulaC17H21NOS2
Molecular Weight319.50 g/mol
Exact Mass319.11
IUPAC NameN-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide
SMILESO=C(NC(C1CC1)C1CC1)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C17H21NOS2/c19-16(18-15(11-1-2-11)12-3-4-12)13-5-7-14(8-6-13)17-20-9-10-21-17/h5-8,11-12,15,17H,1-4,9-10H2,(H,18,19)
InChIKeyFNSXWQNJHTXMNI-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119590390
4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 26907180
4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
CID 27745104
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 78773214
3-[[4-(1,3-dithian-2-yl)benzoyl]amino]butanoic acid
CID 119347784
4-(1,3-dithiolan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 78771363
N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 86981262
4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7962066
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 9164695
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 8937300
N-(dicyclopropylmethyl)naphthalene-2-carboxamide
CID 18146384
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119607023

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide?
The IUPAC name of N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide (CID 36573754) is N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide?
The canonical SMILES for N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide is O=C(NC(C1CC1)C1CC1)c1ccc(C2SCCS2)cc1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide?
The InChIKey is FNSXWQNJHTXMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS2/c19-16(18-15(11-1-2-11)12-3-4-12)13-5-7-14(8-6-13)17-20-9-10-21-17/h5-8,11-12,15,17H,1-4,9-10H2,(H,18,19).
What are the key properties of N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide?
N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide has a molecular weight of 319.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide is sourced from PubChem (CID 36573754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).