5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide

C22H27N5O3S — CID 142858012

IUPAC5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
SMILESC=C/C(=C/C)C(/N=C/CCC)=C(C)NC(=O)Cn1ccc(-c2ccc(C(=O)NO)s2)n1
InChIInChI=1S/C22H27N5O3S/c1-5-8-12-23-21(16(6-2)7-3)15(4)24-20(28)14-27-13-11-17(25-27)18-9-10-19(31-18)22(29)26-30/h6-7,9-13,30H,2,5,8,14H2,1,3-4H3,(H,24,28)(H,26,29)/b16-7-,21-15-,23-12+
InChIKeyCIPLEDTZJFDHOT-LQSMAOMJSA-N
MW441.56 g/mol
LogP4.08
Rot. Bonds10

About 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide

5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide (PubChem CID 142858012) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
PubChem CID142858012
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
SMILESC=C/C(=C/C)C(/N=C/CCC)=C(C)NC(=O)Cn1ccc(-c2ccc(C(=O)NO)s2)n1
InChIInChI=1S/C22H27N5O3S/c1-5-8-12-23-21(16(6-2)7-3)15(4)24-20(28)14-27-13-11-17(25-27)18-9-10-19(31-18)22(29)26-30/h6-7,9-13,30H,2,5,8,14H2,1,3-4H3,(H,24,28)(H,26,29)/b16-7-,21-15-,23-12+
InChIKeyCIPLEDTZJFDHOT-LQSMAOMJSA-N
XLogP4.08
TPSA108.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
CID 10406211
5-[1-[2-(2-cyclohexa-1,3-dien-1-ylethylamino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
CID 142858027
N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 142672472
methyl 5-[1-[2-(3,5-difluoroanilino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxylate
CID 58657074
ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene
CID 142858053
methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate
CID 58657112
N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide
CID 46986482
N-(butylideneamino)-5-fluorothiophene-2-carboxamide
CID 171133999
1-[5-[3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone
CID 29211216
N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide
CID 58657164
N-hydroxy-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
CID 10380864
5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
CID 58657297

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide (CID 142858012) is 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide is C=C/C(=C/C)C(/N=C/CCC)=C(C)NC(=O)Cn1ccc(-c2ccc(C(=O)NO)s2)n1.
What is the InChIKey of 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is CIPLEDTZJFDHOT-LQSMAOMJSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-5-8-12-23-21(16(6-2)7-3)15(4)24-20(28)14-27-13-11-17(25-27)18-9-10-19(31-18)22(29)26-30/h6-7,9-13,30H,2,5,8,14H2,1,3-4H3,(H,24,28)(H,26,29)/b16-7-,21-15-,23-12+.
What are the key properties of 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 4.08, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 142858012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).