2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide

C19H23N3O4S — CID 7986833

IUPAC2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1cccs1)C(C)C
InChIInChI=1S/C19H23N3O4S/c1-4-26-14-9-6-5-8-13(14)17(23)20-16(12(2)3)19(25)22-21-18(24)15-10-7-11-27-15/h5-12,16H,4H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyOJNPTDNBLOZWBL-INIZCTEOSA-N
MW389.48 g/mol
LogP2.36
Rot. Bonds7

About 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide

2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide (PubChem CID 7986833) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
PubChem CID7986833
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1cccs1)C(C)C
InChIInChI=1S/C19H23N3O4S/c1-4-26-14-9-6-5-8-13(14)17(23)20-16(12(2)3)19(25)22-21-18(24)15-10-7-11-27-15/h5-12,16H,4H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyOJNPTDNBLOZWBL-INIZCTEOSA-N
XLogP2.36
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.36
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

AMTB hydrochloride
CID 16095383
N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
CID 16095384
2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 4787489
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
N-(2-aminoethyl)-2-phenylmethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 16035583
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 665548
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl]benzamide
CID 2649382
2-Methoxy-N-[1-(morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]benzamide
CID 3238588
2-methoxy-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3244176
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 4876247
2-Methoxy-benzoic acid N'-[4-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyryl]-hydrazide
CID 5765632
2-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 16013034

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide (CID 7986833) is 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide is CCOc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1cccs1)C(C)C.
What is the InChIKey of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The InChIKey is OJNPTDNBLOZWBL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-26-14-9-6-5-8-13(14)17(23)20-16(12(2)3)19(25)22-21-18(24)15-10-7-11-27-15/h5-12,16H,4H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 7986833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).