2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide

C14H21N3O4S — CID 3018598

IUPAC2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCC1CCCN1C
InChIInChI=1S/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKeyQCKAYJICSQJJCU-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.17
Rot. Bonds5

About 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide

2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide (PubChem CID 3018598) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
PubChem CID3018598
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCC1CCCN1C
InChIInChI=1S/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKeyQCKAYJICSQJJCU-UHFFFAOYSA-N
XLogP0.17
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sulpiride
CID 5355
Levosulpiride
CID 688272
Tiapride
CID 5467
Sultopride
CID 5357
Veralipride
CID 47979
Tiapride Hydrochloride
CID 5702214
Cyprosulfamide
CID 11707647
Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-, hydrochloride (1:1)
CID 3082221
Glisentide
CID 65779
Sulpiride, (R)-
CID 643497
Iodopride
CID 3082754
4-Amino-2-methoxy-5-((methylamino)sulfonyl)-N-((1-(2-propenyl)-2-pyrrolidinyl)methyl)benzamide
CID 71253

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide (CID 3018598) is 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1CCCN1C.
What is the InChIKey of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide?
The InChIKey is QCKAYJICSQJJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20).
What are the key properties of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide?
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 3018598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).