(2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide

C18H15N3O4S — CID 129439552

IUPAC(2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
SMILESC[C@H](Oc1cccc2ccccc12)C(=O)NN=Cc1ccc([N+](=O)[O-])s1
InChIInChI=1S/C18H15N3O4S/c1-12(25-16-8-4-6-13-5-2-3-7-15(13)16)18(22)20-19-11-14-9-10-17(26-14)21(23)24/h2-12H,1H3,(H,20,22)/t12-/m0/s1
InChIKeyMWEYZLGUNZTOKB-LBPRGKRZSA-N
MW369.40 g/mol
LogP3.73
Rot. Bonds6

About (2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide

(2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide (PubChem CID 129439552) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is (2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
PubChem CID129439552
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name(2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
SMILESC[C@H](Oc1cccc2ccccc12)C(=O)NN=Cc1ccc([N+](=O)[O-])s1
InChIInChI=1S/C18H15N3O4S/c1-12(25-16-8-4-6-13-5-2-3-7-15(13)16)18(22)20-19-11-14-9-10-17(26-14)21(23)24/h2-12H,1H3,(H,20,22)/t12-/m0/s1
InChIKeyMWEYZLGUNZTOKB-LBPRGKRZSA-N
XLogP3.73
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5187762
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783
N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 2852741
(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
CID 5393557
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 3364097
[2-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 45055338
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
(2S)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 5434404
4-methoxy-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 3663595
3,4,5-trimethoxy-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 3317140

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide (CID 129439552) is (2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide is C[C@H](Oc1cccc2ccccc12)C(=O)NN=Cc1ccc([N+](=O)[O-])s1.
What is the InChIKey of (2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide?
The InChIKey is MWEYZLGUNZTOKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-12(25-16-8-4-6-13-5-2-3-7-15(13)16)18(22)20-19-11-14-9-10-17(26-14)21(23)24/h2-12H,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide?
(2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide has a molecular weight of 369.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide is sourced from PubChem (CID 129439552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).