N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide

C20H16N2O4S — CID 1317590

IUPACN-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H16N2O4S/c1-26-18-8-4-3-7-17(18)21-20(23)16-6-2-5-9-19(16)27-15-12-10-14(11-13-15)22(24)25/h2-13H,1H3,(H,21,23)
InChIKeyJKNUDHUHXMELIJ-UHFFFAOYSA-N
MW380.43 g/mol
LogP5.01
Rot. Bonds6

About N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide

N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide (PubChem CID 1317590) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
PubChem CID1317590
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC NameN-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H16N2O4S/c1-26-18-8-4-3-7-17(18)21-20(23)16-6-2-5-9-19(16)27-15-12-10-14(11-13-15)22(24)25/h2-13H,1H3,(H,21,23)
InChIKeyJKNUDHUHXMELIJ-UHFFFAOYSA-N
XLogP5.01
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(carbamoylamino)-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;hydrochloride
CID 141328022
N-(2-ethylphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 1299111
N-(4-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 2389976
2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;sulfuric acid
CID 118387004
2-chloro-N-(2-methoxyphenyl)-5-(4-nitrophenyl)sulfanylpyrimidine-4-carboxamide
CID 134816594
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 1371919
N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide
CID 71595967
N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide
CID 17310401
2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
CID 17424318
2-(4-nitrophenyl)sulfanyl-N-pyridin-3-ylbenzamide
CID 70867902
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2965786

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide (CID 1317590) is N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide is COc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
The InChIKey is JKNUDHUHXMELIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-26-18-8-4-3-7-17(18)21-20(23)16-6-2-5-9-19(16)27-15-12-10-14(11-13-15)22(24)25/h2-13H,1H3,(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide has a molecular weight of 380.43 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide is sourced from PubChem (CID 1317590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).