N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide

C17H19N3O3S — CID 17126701

IUPACN-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)N/N=C(\C)c2ccc(OCC(N)=O)cc2)cs1
InChIInChI=1S/C17H19N3O3S/c1-3-15-8-13(10-24-15)17(22)20-19-11(2)12-4-6-14(7-5-12)23-9-16(18)21/h4-8,10H,3,9H2,1-2H3,(H2,18,21)(H,20,22)/b19-11+
InChIKeyJJQDHZSKPNJPPY-YBFXNURJSA-N
MW345.42 g/mol
LogP2.33
Rot. Bonds7

About N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide

N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide (PubChem CID 17126701) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide
PubChem CID17126701
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)N/N=C(\C)c2ccc(OCC(N)=O)cc2)cs1
InChIInChI=1S/C17H19N3O3S/c1-3-15-8-13(10-24-15)17(22)20-19-11(2)12-4-6-14(7-5-12)23-9-16(18)21/h4-8,10H,3,9H2,1-2H3,(H2,18,21)(H,20,22)/b19-11+
InChIKeyJJQDHZSKPNJPPY-YBFXNURJSA-N
XLogP2.33
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 6009222
N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 4590770
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6377891
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9232127
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9176423
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 7431748
2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide
CID 6217616
5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide
CID 135647739

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide?
The IUPAC name of N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide (CID 17126701) is N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide?
The canonical SMILES for N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide is CCc1cc(C(=O)N/N=C(\C)c2ccc(OCC(N)=O)cc2)cs1.
What is the InChIKey of N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide?
The InChIKey is JJQDHZSKPNJPPY-YBFXNURJSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-15-8-13(10-24-15)17(22)20-19-11(2)12-4-6-14(7-5-12)23-9-16(18)21/h4-8,10H,3,9H2,1-2H3,(H2,18,21)(H,20,22)/b19-11+.
What are the key properties of N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide?
N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide is sourced from PubChem (CID 17126701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).