N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide

C20H23N3O4S — CID 55835190

IUPACN-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
SMILESCCOc1ccc(C(=O)NNC(=O)C(C)Sc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-27-17-9-5-15(6-10-17)20(26)23-22-19(25)13(2)28-18-11-7-16(8-12-18)21-14(3)24/h5-13H,4H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyDLTGZRRQANZTAT-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.99
Rot. Bonds7

About N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide

N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide (PubChem CID 55835190) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
PubChem CID55835190
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
SMILESCCOc1ccc(C(=O)NNC(=O)C(C)Sc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-27-17-9-5-15(6-10-17)20(26)23-22-19(25)13(2)28-18-11-7-16(8-12-18)21-14(3)24/h5-13H,4H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyDLTGZRRQANZTAT-UHFFFAOYSA-N
XLogP2.99
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740652
N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 19629898
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8573954
N-[(2R)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 7479586
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
N-[4-[1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 19712011
N-[(Z)-3-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 21383547
N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
CID 7979451
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
N'-[2-(4-bromophenyl)sulfanylpropanoyl]-4-ethylbenzohydrazide
CID 55825014

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide (CID 55835190) is N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide is CCOc1ccc(C(=O)NNC(=O)C(C)Sc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
The InChIKey is DLTGZRRQANZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-27-17-9-5-15(6-10-17)20(26)23-22-19(25)13(2)28-18-11-7-16(8-12-18)21-14(3)24/h5-13H,4H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 55835190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).