N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide

C17H18N2O4S — CID 17310401

IUPACN-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide
SMILESCCCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C17H18N2O4S/c1-3-10-24-16-7-5-4-6-13(16)17(20)18-14-11-12(19(21)22)8-9-15(14)23-2/h4-9,11H,3,10H2,1-2H3,(H,18,20)
InChIKeyVRMDPMVZLMXBOL-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.36
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide

N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide (PubChem CID 17310401) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide
PubChem CID17310401
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide
SMILESCCCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C17H18N2O4S/c1-3-10-24-16-7-5-4-6-13(16)17(20)18-14-11-12(19(21)22)8-9-15(14)23-2/h4-9,11H,3,10H2,1-2H3,(H,18,20)
InChIKeyVRMDPMVZLMXBOL-UHFFFAOYSA-N
XLogP4.36
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.36
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'}

Analyze N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide 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

2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide
CID 7578693
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-ethylsulfanylbenzoate
CID 8658427
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 1317590
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
butyl 2-[[2-(2-methoxy-5-nitroanilino)-2-oxoacetyl]amino]benzoate
CID 108514685
[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 5049281
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9101632

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide (CID 17310401) is N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide is CCCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide?
The InChIKey is VRMDPMVZLMXBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-10-24-16-7-5-4-6-13(16)17(20)18-14-11-12(19(21)22)8-9-15(14)23-2/h4-9,11H,3,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide?
N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide has a molecular weight of 346.41 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide is sourced from PubChem (CID 17310401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).