1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide

C18H21N3O4S — CID 74227150

IUPAC1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide
SMILESCOc1ccccc1CN1CC1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-25-17-5-3-2-4-14(17)11-21-12-16(21)18(22)20-10-13-6-8-15(9-7-13)26(19,23)24/h2-9,16H,10-12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyPXNUODFWTSEXEF-UHFFFAOYSA-N
MW375.45 g/mol
LogP0.84
Rot. Bonds7

About 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide

1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide (PubChem CID 74227150) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide
PubChem CID74227150
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide
SMILESCOc1ccccc1CN1CC1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-25-17-5-3-2-4-14(17)11-21-12-16(21)18(22)20-10-13-6-8-15(9-7-13)26(19,23)24/h2-9,16H,10-12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyPXNUODFWTSEXEF-UHFFFAOYSA-N
XLogP0.84
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide 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

1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 110674272
(4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851806
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 22108283
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
(2S,4S)-1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 135307082
1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874869
2-[[N-[(2-methoxyphenyl)methyl]-N'-[(4-sulfamoylphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111218181
cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 40606359
(2S)-1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95074323
(3S)-4-acetyl-N-[(2-methoxyphenyl)methyl]-3-methyl-7-(4-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 146226508
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 28562138

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide (CID 74227150) is 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide is COc1ccccc1CN1CC1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide?
The InChIKey is PXNUODFWTSEXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-25-17-5-3-2-4-14(17)11-21-12-16(21)18(22)20-10-13-6-8-15(9-7-13)26(19,23)24/h2-9,16H,10-12H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide?
1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide is sourced from PubChem (CID 74227150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).