N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide

C21H18N2O5S — CID 24529878

IUPACN-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H18N2O5S/c1-27-19-4-2-3-5-20(19)28-17-10-6-15(7-11-17)22-21(24)14-29-18-12-8-16(9-13-18)23(25)26/h2-13H,14H2,1H3,(H,22,24)
InChIKeyWQHQZBKYDPDJHC-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.13
Rot. Bonds8

About N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide

N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 24529878) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID24529878
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H18N2O5S/c1-27-19-4-2-3-5-20(19)28-17-10-6-15(7-11-17)22-21(24)14-29-18-12-8-16(9-13-18)23(25)26/h2-13H,14H2,1H3,(H,22,24)
InChIKeyWQHQZBKYDPDJHC-UHFFFAOYSA-N
XLogP5.13
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide 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-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390
2-(4-nitrophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2083460
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 7206081
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
3,3-dimethyl-N-[4-[2-(4-nitroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19631057
N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide
CID 43066844
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 5138478
2-[[5-[1-(2-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 43869714
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide (CID 24529878) is N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide is COc1ccccc1Oc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is WQHQZBKYDPDJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-27-19-4-2-3-5-20(19)28-17-10-6-15(7-11-17)22-21(24)14-29-18-12-8-16(9-13-18)23(25)26/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 410.45 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 24529878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).