4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C16H18N2O4S — CID 56961355

IUPAC4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILES[11CH3]Oc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-14-6-4-13(5-7-14)16(19)18-11-10-12-2-8-15(9-3-12)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)/i1-1
InChIKeyBMAVHVYUVWWTLT-BJUDXGSMSA-N
MW333.40 g/mol
LogP1.32
Rot. Bonds6

About 4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 56961355) has the molecular formula C16H18N2O4S and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID56961355
Molecular FormulaC16H18N2O4S
Molecular Weight333.40 g/mol
Exact Mass333.11
IUPAC Name4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILES[11CH3]Oc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-14-6-4-13(5-7-14)16(19)18-11-10-12-2-8-15(9-3-12)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)/i1-1
InChIKeyBMAVHVYUVWWTLT-BJUDXGSMSA-N
XLogP1.32
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
4-(2-fluoroethoxy)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 75047493
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111170022
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
N-[(6-methoxynaphthalen-2-yl)methyl]-4-sulfamoylbenzamide
CID 41287032
2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84576032

Frequently Asked Questions

What is the IUPAC name of 4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 56961355) is 4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is [11CH3]Oc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is BMAVHVYUVWWTLT-BJUDXGSMSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-22-14-6-4-13(5-7-14)16(19)18-11-10-12-2-8-15(9-3-12)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)/i1-1.
What are the key properties of 4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 333.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 56961355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).