N,N-diethyl-3-(thian-4-ylamino)benzamide

C16H24N2OS — CID 43511332

IUPACN,N-diethyl-3-(thian-4-ylamino)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC2CCSCC2)c1
InChIInChI=1S/C16H24N2OS/c1-3-18(4-2)16(19)13-6-5-7-15(12-13)17-14-8-10-20-11-9-14/h5-7,12,14,17H,3-4,8-11H2,1-2H3
InChIKeyLKLWVIJFDNLYHG-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.48
Rot. Bonds5

About N,N-diethyl-3-(thian-4-ylamino)benzamide

N,N-diethyl-3-(thian-4-ylamino)benzamide (PubChem CID 43511332) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N,N-diethyl-3-(thian-4-ylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(thian-4-ylamino)benzamide
PubChem CID43511332
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN,N-diethyl-3-(thian-4-ylamino)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC2CCSCC2)c1
InChIInChI=1S/C16H24N2OS/c1-3-18(4-2)16(19)13-6-5-7-15(12-13)17-14-8-10-20-11-9-14/h5-7,12,14,17H,3-4,8-11H2,1-2H3
InChIKeyLKLWVIJFDNLYHG-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thian-4-ylamino)benzoic acid
CID 43511387
3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide
CID 61309718
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43725453
3-(cyclopropylcarbamothioylamino)-N,N-diethylbenzamide
CID 8629357
N,N-dimethyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43725406
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 115972146
3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide
CID 79731247
N,N-diethyl-4-[[(3S)-thian-3-yl]amino]benzamide
CID 99836848
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(thian-4-ylamino)benzamide?
The IUPAC name of N,N-diethyl-3-(thian-4-ylamino)benzamide (CID 43511332) is N,N-diethyl-3-(thian-4-ylamino)benzamide.
What is the SMILES notation for N,N-diethyl-3-(thian-4-ylamino)benzamide?
The canonical SMILES for N,N-diethyl-3-(thian-4-ylamino)benzamide is CCN(CC)C(=O)c1cccc(NC2CCSCC2)c1.
What is the InChIKey of N,N-diethyl-3-(thian-4-ylamino)benzamide?
The InChIKey is LKLWVIJFDNLYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-18(4-2)16(19)13-6-5-7-15(12-13)17-14-8-10-20-11-9-14/h5-7,12,14,17H,3-4,8-11H2,1-2H3.
What are the key properties of N,N-diethyl-3-(thian-4-ylamino)benzamide?
N,N-diethyl-3-(thian-4-ylamino)benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(thian-4-ylamino)benzamide is sourced from PubChem (CID 43511332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).