2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide

C18H23N3O5S — CID 47005946

IUPAC2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1cc(C)c(NC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C18H23N3O5S/c1-11-9-16(25-3)17(26-4)10-15(11)20-12(2)18(22)21-13-5-7-14(8-6-13)27(19,23)24/h5-10,12,20H,1-4H3,(H,21,22)(H2,19,23,24)
InChIKeyQSRFSPGSDHEDGP-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.10
Rot. Bonds7

About 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide

2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 47005946) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide
PubChem CID47005946
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1cc(C)c(NC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C18H23N3O5S/c1-11-9-16(25-3)17(26-4)10-15(11)20-12(2)18(22)21-13-5-7-14(8-6-13)27(19,23)24/h5-10,12,20H,1-4H3,(H,21,22)(H2,19,23,24)
InChIKeyQSRFSPGSDHEDGP-UHFFFAOYSA-N
XLogP2.10
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 7777353
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 8008354
2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 4787331
2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42911852
2-(3,5-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912015
2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 51168758
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
(2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 25355632
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
CID 9044402

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide (CID 47005946) is 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide is COc1cc(C)c(NC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is QSRFSPGSDHEDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-11-9-16(25-3)17(26-4)10-15(11)20-12(2)18(22)21-13-5-7-14(8-6-13)27(19,23)24/h5-10,12,20H,1-4H3,(H,21,22)(H2,19,23,24).
What are the key properties of 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide?
2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 393.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 47005946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).