N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

C18H14N2O3S2 — CID 26719369

IUPACN-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1SCc1cccs1
InChIInChI=1S/C18H14N2O3S2/c21-18(19-13-5-3-6-14(11-13)20(22)23)16-8-1-2-9-17(16)25-12-15-7-4-10-24-15/h1-11H,12H2,(H,19,21)
InChIKeyNYBLPWCDVALGMO-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.20
Rot. Bonds6

About N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 26719369) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID26719369
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC NameN-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1SCc1cccs1
InChIInChI=1S/C18H14N2O3S2/c21-18(19-13-5-3-6-14(11-13)20(22)23)16-8-1-2-9-17(16)25-12-15-7-4-10-24-15/h1-11H,12H2,(H,19,21)
InChIKeyNYBLPWCDVALGMO-UHFFFAOYSA-N
XLogP5.20
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.20
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

N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24513660
N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 167895154
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 47072037
N-(3-nitrophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026039
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(3-nitrophenyl)benzamide
CID 9411068
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
N-(4-pyrrolidin-1-ylphenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18205229
N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 37345134
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
N-(3-nitrophenyl)-4-thiophen-2-ylbenzamide
CID 4730837
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 36542663

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 26719369) is N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1SCc1cccs1.
What is the InChIKey of N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is NYBLPWCDVALGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c21-18(19-13-5-3-6-14(11-13)20(22)23)16-8-1-2-9-17(16)25-12-15-7-4-10-24-15/h1-11H,12H2,(H,19,21).
What are the key properties of N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 370.46 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 26719369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).