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

C22H25N3O4S — CID 90604856

IUPACN'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC2(Sc3ccccc3)CCOCC2)cc1
InChIInChI=1S/C22H25N3O4S/c1-16(26)24-17-7-9-18(10-8-17)25-21(28)20(27)23-15-22(11-13-29-14-12-22)30-19-5-3-2-4-6-19/h2-10H,11-15H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyBMNVBBXYNOUFOT-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.04
Rot. Bonds6

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

N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide (PubChem CID 90604856) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
PubChem CID90604856
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC2(Sc3ccccc3)CCOCC2)cc1
InChIInChI=1S/C22H25N3O4S/c1-16(26)24-17-7-9-18(10-8-17)25-21(28)20(27)23-15-22(11-13-29-14-12-22)30-19-5-3-2-4-6-19/h2-10H,11-15H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyBMNVBBXYNOUFOT-UHFFFAOYSA-N
XLogP3.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-acetamidophenyl)-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-[(4-phenylsulfanyloxan-4-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90604873
N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604824
2,2-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]propanamide
CID 90604589
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
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
2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 72716994

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide (CID 90604856) is N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)NCC2(Sc3ccccc3)CCOCC2)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide?
The InChIKey is BMNVBBXYNOUFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-16(26)24-17-7-9-18(10-8-17)25-21(28)20(27)23-15-22(11-13-29-14-12-22)30-19-5-3-2-4-6-19/h2-10H,11-15H2,1H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide?
N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide has a molecular weight of 427.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide is sourced from PubChem (CID 90604856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).