N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide

C18H23N3O4S — CID 12861914

IUPACN-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCN(C)Cc1ccccc1
InChIInChI=1S/C18H23N3O4S/c1-21(13-14-6-4-3-5-7-14)11-10-20-18(22)16-12-15(26(19,23)24)8-9-17(16)25-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyIUDHLGCKLCPXHW-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.20
Rot. Bonds8

About N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide

N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 12861914) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID12861914
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCN(C)Cc1ccccc1
InChIInChI=1S/C18H23N3O4S/c1-21(13-14-6-4-3-5-7-14)11-10-20-18(22)16-12-15(26(19,23)24)8-9-17(16)25-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyIUDHLGCKLCPXHW-UHFFFAOYSA-N
XLogP1.20
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide (CID 12861914) is N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCCN(C)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is IUDHLGCKLCPXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-21(13-14-6-4-3-5-7-14)11-10-20-18(22)16-12-15(26(19,23)24)8-9-17(16)25-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide?
N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 377.47 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 12861914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).