N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide

C14H20N2O2S — CID 107034718

IUPACN-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H20N2O2S/c1-3-16(4-2)13(17)9-10-15-14(18)11-5-7-12(19)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3,(H,15,18)
InChIKeyKKFGEOHQSAQWOU-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.96
Rot. Bonds6

About N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide

N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide (PubChem CID 107034718) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide
PubChem CID107034718
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H20N2O2S/c1-3-16(4-2)13(17)9-10-15-14(18)11-5-7-12(19)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3,(H,15,18)
InChIKeyKKFGEOHQSAQWOU-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 78796540
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687
N-decyl-4-sulfanylbenzamide
CID 107032455
3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide
CID 61102199
N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966022
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639
4-[[4-(diethylcarbamoyl)benzoyl]amino]butanoic acid
CID 119352901
N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
CID 114175650

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide?
The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide (CID 107034718) is N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide.
What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide?
The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide is CCN(CC)C(=O)CCNC(=O)c1ccc(S)cc1.
What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide?
The InChIKey is KKFGEOHQSAQWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-16(4-2)13(17)9-10-15-14(18)11-5-7-12(19)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3,(H,15,18).
What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide?
N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide has a molecular weight of 280.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide is sourced from PubChem (CID 107034718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).