3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide

C17H19N3O4S — CID 18161684

IUPAC3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C17H19N3O4S/c1-11-3-4-13(9-12(11)2)17(22)19-10-16(21)20-14-5-7-15(8-6-14)25(18,23)24/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyIMGDLVRATCZTSQ-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.32
Rot. Bonds5

About 3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide

3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide (PubChem CID 18161684) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
PubChem CID18161684
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C17H19N3O4S/c1-11-3-4-13(9-12(11)2)17(22)19-10-16(21)20-14-5-7-15(8-6-14)25(18,23)24/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyIMGDLVRATCZTSQ-UHFFFAOYSA-N
XLogP1.32
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide
CID 9219410
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 9314380
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885307
[2-(4-iodoanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 2477229
[2-(4-hydroxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 27921499
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide (CID 18161684) is 3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide?
The InChIKey is IMGDLVRATCZTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11-3-4-13(9-12(11)2)17(22)19-10-16(21)20-14-5-7-15(8-6-14)25(18,23)24/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)(H2,18,23,24).
What are the key properties of 3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide?
3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide has a molecular weight of 361.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide is sourced from PubChem (CID 18161684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).