N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide

C21H24N2O4S — CID 90604824

IUPACN'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C21H24N2O4S/c1-26-18-10-6-5-9-17(18)23-20(25)19(24)22-15-21(11-13-27-14-12-21)28-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,24)(H,23,25)
InChIKeyBZPFTQWKFZAGFU-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.09
Rot. Bonds6

About N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide

N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide (PubChem CID 90604824) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
PubChem CID90604824
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C21H24N2O4S/c1-26-18-10-6-5-9-17(18)23-20(25)19(24)22-15-21(11-13-27-14-12-21)28-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,24)(H,23,25)
InChIKeyBZPFTQWKFZAGFU-UHFFFAOYSA-N
XLogP3.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide 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

N-methyl-N'-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604785
N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 7647050
2,2-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]propanamide
CID 90604589
N-[(4-phenylsulfanyloxan-4-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90604873
2-ethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604592
1-cyclopropyl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 90604890
1-benzhydryl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717034
4,4,4-trifluoro-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604934
1-cycloheptyl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 90604925
N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 47697691
1-(naphthalen-1-ylmethyl)-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717033
5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 72719907

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide?
The IUPAC name of N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide (CID 90604824) is N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide?
The canonical SMILES for N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide is COc1ccccc1NC(=O)C(=O)NCC1(Sc2ccccc2)CCOCC1.
What is the InChIKey of N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide?
The InChIKey is BZPFTQWKFZAGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-26-18-10-6-5-9-17(18)23-20(25)19(24)22-15-21(11-13-27-14-12-21)28-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide?
N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide has a molecular weight of 400.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide is sourced from PubChem (CID 90604824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).