N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide

C16H26N2OS — CID 103087235

IUPACN,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide
SMILESCCN(CC)C(=O)c1cccc(NCCCCSC)c1
InChIInChI=1S/C16H26N2OS/c1-4-18(5-2)16(19)14-9-8-10-15(13-14)17-11-6-7-12-20-3/h8-10,13,17H,4-7,11-12H2,1-3H3
InChIKeyWAVUGCRNCOPFMM-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.72
Rot. Bonds9

About N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide

N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide (PubChem CID 103087235) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide
PubChem CID103087235
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide
SMILESCCN(CC)C(=O)c1cccc(NCCCCSC)c1
InChIInChI=1S/C16H26N2OS/c1-4-18(5-2)16(19)14-9-8-10-15(13-14)17-11-6-7-12-20-3/h8-10,13,17H,4-7,11-12H2,1-3H3
InChIKeyWAVUGCRNCOPFMM-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate
CID 113268202
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119269046
3-ethyl-N-(4-methylsulfanylbutyl)aniline
CID 103087215
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
CID 168637498
N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54832875
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide
CID 103087507
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide?
The IUPAC name of N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide (CID 103087235) is N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide.
What is the SMILES notation for N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide?
The canonical SMILES for N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide is CCN(CC)C(=O)c1cccc(NCCCCSC)c1.
What is the InChIKey of N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide?
The InChIKey is WAVUGCRNCOPFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-18(5-2)16(19)14-9-8-10-15(13-14)17-11-6-7-12-20-3/h8-10,13,17H,4-7,11-12H2,1-3H3.
What are the key properties of N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide?
N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide has a molecular weight of 294.46 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide is sourced from PubChem (CID 103087235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).