N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide

C16H15N3O6S — CID 55363375

IUPACN-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O6S/c1-10(26-13-6-3-11(4-7-13)18(21)22)16(20)17-14-9-12(19(23)24)5-8-15(14)25-2/h3-10H,1-2H3,(H,17,20)
InChIKeyNJNPYGRBBDNFBF-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.63
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide

N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide (PubChem CID 55363375) has the molecular formula C16H15N3O6S and a molecular weight of 377.38 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
PubChem CID55363375
Molecular FormulaC16H15N3O6S
Molecular Weight377.38 g/mol
Exact Mass377.07
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O6S/c1-10(26-13-6-3-11(4-7-13)18(21)22)16(20)17-14-9-12(19(23)24)5-8-15(14)25-2/h3-10H,1-2H3,(H,17,20)
InChIKeyNJNPYGRBBDNFBF-UHFFFAOYSA-N
XLogP3.63
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(2R)-2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2629172
(2S)-2-(4-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2665494
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 93486233
N-(2-methoxy-5-nitrophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18073888
(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7816512
N-[4-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide
CID 23098044
(2S)-N-(2-methoxy-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7965057
2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 24527884
N-[4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide
CID 23098524
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 46807006
N-(2-methoxy-5-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 4016198
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)propanamide
CID 9055678

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide (CID 55363375) is N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The InChIKey is NJNPYGRBBDNFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6S/c1-10(26-13-6-3-11(4-7-13)18(21)22)16(20)17-14-9-12(19(23)24)5-8-15(14)25-2/h3-10H,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide?
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide has a molecular weight of 377.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide is sourced from PubChem (CID 55363375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).