N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide

C15H24N2O4S — CID 5467

IUPACN-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC
InChIInChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKeyJTVPZMFULRWINT-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.17
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide

N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide (PubChem CID 5467) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide
PubChem CID5467
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC
InChIInChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKeyJTVPZMFULRWINT-UHFFFAOYSA-N
XLogP1.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sulpiride
CID 5355
Levosulpiride
CID 688272
Sultopride
CID 5357
Veralipride
CID 47979
Tiapride Hydrochloride
CID 5702214
Sulmepride
CID 3018598
Cyprosulfamide
CID 11707647
Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-, hydrochloride (1:1)
CID 3082221
Sulpiride, (R)-
CID 643497
2-Methoxy-5-sulfamoylbenzamide
CID 827160
Iodosulpiride
CID 44312731
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxy-benzamide
CID 130431447

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide (CID 5467) is N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide is CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide?
The InChIKey is JTVPZMFULRWINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide?
N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide has a molecular weight of 328.43 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide is sourced from PubChem (CID 5467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).