3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide

C18H21N3O4S — CID 2468601

IUPAC3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H21N3O4S/c1-12-7-13(2)9-15(8-12)18(23)21-11-17(22)20-10-14-3-5-16(6-4-14)26(19,24)25/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyWIWKGQJTKJIJAS-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.00
Rot. Bonds6

About 3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide

3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide (PubChem CID 2468601) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
PubChem CID2468601
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H21N3O4S/c1-12-7-13(2)9-15(8-12)18(23)21-11-17(22)20-10-14-3-5-16(6-4-14)26(19,24)25/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyWIWKGQJTKJIJAS-UHFFFAOYSA-N
XLogP1.00
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624
3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60516567
2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 34373179
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
N-[2-[(6-methoxynaphthalen-2-yl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 41255483
2-(prop-2-ynylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 78909532
N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773672
4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
CID 60686955
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide (CID 2468601) is 3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide?
The InChIKey is WIWKGQJTKJIJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-7-13(2)9-15(8-12)18(23)21-11-17(22)20-10-14-3-5-16(6-4-14)26(19,24)25/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of 3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide?
3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 2468601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).