2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C17H18Cl2N4O3S — CID 30862310

IUPAC2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCOCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CSC2
InChIInChI=1S/C17H18Cl2N4O3S/c1-26-5-4-20-15(24)7-23-16(12-8-27-9-14(12)22-23)21-17(25)11-6-10(18)2-3-13(11)19/h2-3,6H,4-5,7-9H2,1H3,(H,20,24)(H,21,25)
InChIKeyAOXLOJPQIDFNSW-UHFFFAOYSA-N
MW429.33 g/mol
LogP2.95
Rot. Bonds7

About 2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 30862310) has the molecular formula C17H18Cl2N4O3S and a molecular weight of 429.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
PubChem CID30862310
Molecular FormulaC17H18Cl2N4O3S
Molecular Weight429.33 g/mol
Exact Mass428.05
IUPAC Name2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCOCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CSC2
InChIInChI=1S/C17H18Cl2N4O3S/c1-26-5-4-20-15(24)7-23-16(12-8-27-9-14(12)22-23)21-17(25)11-6-10(18)2-3-13(11)19/h2-3,6H,4-5,7-9H2,1H3,(H,20,24)(H,21,25)
InChIKeyAOXLOJPQIDFNSW-UHFFFAOYSA-N
XLogP2.95
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862305
2,3-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862221
(2S)-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylbutanamide
CID 30862339
N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
CID 30862330
3,4-dimethyl-N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862163
2,5-dichloro-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4208067
2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862513
N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
CID 30862566
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
2-cyclopentyl-N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 30862161
2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 30862561
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide
CID 39067403

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 30862310) is 2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is COCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CSC2.
What is the InChIKey of 2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The InChIKey is AOXLOJPQIDFNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O3S/c1-26-5-4-20-15(24)7-23-16(12-8-27-9-14(12)22-23)21-17(25)11-6-10(18)2-3-13(11)19/h2-3,6H,4-5,7-9H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 429.33 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 30862310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).