N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide

C17H26N2OS2 — CID 86981262

IUPACN-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide
SMILESCCN(CC)C(C)CNC(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C17H26N2OS2/c1-4-19(5-2)13(3)12-18-16(20)14-6-8-15(9-7-14)17-21-10-11-22-17/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyUNRSMKWGRMDCFR-UHFFFAOYSA-N
MW338.54 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide

N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide (PubChem CID 86981262) has the molecular formula C17H26N2OS2 and a molecular weight of 338.54 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide
PubChem CID86981262
Molecular FormulaC17H26N2OS2
Molecular Weight338.54 g/mol
Exact Mass338.15
IUPAC NameN-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide
SMILESCCN(CC)C(C)CNC(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C17H26N2OS2/c1-4-19(5-2)13(3)12-18-16(20)14-6-8-15(9-7-14)17-21-10-11-22-17/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyUNRSMKWGRMDCFR-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide
CID 26702921
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 32630712
4-(1,3-dithiolan-2-yl)-N-(2-methoxyethyl)benzamide
CID 18161968
4-(1,3-dithiolan-2-yl)-N-(2-ethoxyethyl)benzamide
CID 86919802
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
CID 119582994
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829
2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-2-methylbutanoic acid
CID 119199136
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate
CID 8851137
N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 36573754
4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 26907180
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide (CID 86981262) is N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide is CCN(CC)C(C)CNC(=O)c1ccc(C2SCCS2)cc1.
What is the InChIKey of N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide?
The InChIKey is UNRSMKWGRMDCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS2/c1-4-19(5-2)13(3)12-18-16(20)14-6-8-15(9-7-14)17-21-10-11-22-17/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide?
N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide has a molecular weight of 338.54 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide is sourced from PubChem (CID 86981262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).