N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide

C15H24N2O2S — CID 21151365

IUPACN-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(SOC)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-17(5-2)12-6-11-16-15(18)13-7-9-14(10-8-13)20-19-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,18)
InChIKeyUGRPGQQPVNDVGK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.80
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide

N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide (PubChem CID 21151365) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide
PubChem CID21151365
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(SOC)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-17(5-2)12-6-11-16-15(18)13-7-9-14(10-8-13)20-19-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,18)
InChIKeyUGRPGQQPVNDVGK-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
N-[3-(diethylamino)propyl]-4-nitrobenzamide
CID 3278137
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
N-[3-[octyl(pentyl)amino]propyl]-4-[4-[3-[octyl(pentyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139956044
N-[3-[heptyl(hexyl)amino]propyl]-4-[4-[3-[heptyl(hexyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955686

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide (CID 21151365) is N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide is CCN(CC)CCCNC(=O)c1ccc(SOC)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide?
The InChIKey is UGRPGQQPVNDVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17(5-2)12-6-11-16-15(18)13-7-9-14(10-8-13)20-19-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide?
N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide has a molecular weight of 296.44 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide is sourced from PubChem (CID 21151365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).