N-methyl-2-(2-nitrophenyl)sulfanylbenzamide

C14H12N2O3S — CID 2801930

IUPACN-methyl-2-(2-nitrophenyl)sulfanylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O3S/c1-15-14(17)10-6-2-4-8-12(10)20-13-9-5-3-7-11(13)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyDGOLMTSTXLHVKN-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.11
Rot. Bonds4

About N-methyl-2-(2-nitrophenyl)sulfanylbenzamide

N-methyl-2-(2-nitrophenyl)sulfanylbenzamide (PubChem CID 2801930) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-methyl-2-(2-nitrophenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-2-(2-nitrophenyl)sulfanylbenzamide
PubChem CID2801930
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-methyl-2-(2-nitrophenyl)sulfanylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O3S/c1-15-14(17)10-6-2-4-8-12(10)20-13-9-5-3-7-11(13)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyDGOLMTSTXLHVKN-UHFFFAOYSA-N
XLogP3.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(methylsulfanyl)-N-(3-nitrophenyl)benzamide
CID 1254124
N,N-dimethyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide
CID 1475007
N-(2-methyl-3-nitrophenyl)-2-(methylthio)benzamide
CID 2242312
Benzamide, N-methyl-2-[(4-methyl-2-nitrophenyl)thio]-
CID 10946580
N-(2-Methylsulfanylphenyl)-4-nitro-benzamide
CID 877269
N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide
CID 1475016
N-(2-acetamidoethyl)-3-nitro-4-phenylsulfanylbenzamide
CID 2450723
2-[(3-Nitro-4-phenylsulfanylbenzoyl)amino]acetic acid
CID 2564867
N-allyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide
CID 2767724
4-[2-(diethylamino)-2-oxoethyl]sulfanyl-3-nitro-N-propylbenzamide
CID 4246092
N-butyl-4-{[2-(diethylamino)-2-oxoethyl]thio}-3-nitrobenzamide
CID 4246093
4-nitro-N-[2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 132991418

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-nitrophenyl)sulfanylbenzamide?
The IUPAC name of N-methyl-2-(2-nitrophenyl)sulfanylbenzamide (CID 2801930) is N-methyl-2-(2-nitrophenyl)sulfanylbenzamide.
What is the SMILES notation for N-methyl-2-(2-nitrophenyl)sulfanylbenzamide?
The canonical SMILES for N-methyl-2-(2-nitrophenyl)sulfanylbenzamide is CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-(2-nitrophenyl)sulfanylbenzamide?
The InChIKey is DGOLMTSTXLHVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-15-14(17)10-6-2-4-8-12(10)20-13-9-5-3-7-11(13)16(18)19/h2-9H,1H3,(H,15,17).
What are the key properties of N-methyl-2-(2-nitrophenyl)sulfanylbenzamide?
N-methyl-2-(2-nitrophenyl)sulfanylbenzamide has a molecular weight of 288.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-nitrophenyl)sulfanylbenzamide is sourced from PubChem (CID 2801930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).