N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide

C16H17N3O3S — CID 4196331

IUPACN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide
SMILESCCc1ccc(C(C)=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C16H17N3O3S/c1-3-14-8-9-15(23-14)11(2)17-18-16(20)10-12-4-6-13(7-5-12)19(21)22/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKeyQCBOQMNJWTVEBT-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.30
Rot. Bonds6

About N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide

N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 4196331) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID4196331
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide
SMILESCCc1ccc(C(C)=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C16H17N3O3S/c1-3-14-8-9-15(23-14)11(2)17-18-16(20)10-12-4-6-13(7-5-12)19(21)22/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKeyQCBOQMNJWTVEBT-UHFFFAOYSA-N
XLogP3.30
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide
CID 4155317
2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 126369200
N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5201296
ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
CID 3848888
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5253057
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 135736270
N-[1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 5093411
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 6268412
2,2,2-trifluoro-N-[4-[C-methyl-N-[[2-(4-nitrophenyl)acetyl]amino]carbonimidoyl]phenyl]acetamide
CID 3429215
2,2,2-trifluoro-N-[4-[(E)-C-methyl-N-[[2-(4-nitrophenyl)acetyl]amino]carbonimidoyl]phenyl]acetamide
CID 7114942
1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea
CID 4982356
N-[(5-ethylthiophen-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875792

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide (CID 4196331) is N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide is CCc1ccc(C(C)=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is QCBOQMNJWTVEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-3-14-8-9-15(23-14)11(2)17-18-16(20)10-12-4-6-13(7-5-12)19(21)22/h4-9H,3,10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide?
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 4196331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).