4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide

C22H23N3O3S — CID 78835011

IUPAC4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)CNc3ccc(C)cc3)sc2C)cc1
InChIInChI=1S/C22H23N3O3S/c1-14-4-8-17(9-5-14)23-13-21(26)24-25-22(27)20-12-19(15(2)29-20)16-6-10-18(28-3)11-7-16/h4-12,23H,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyQQEHVPKFCRXJOV-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.91
Rot. Bonds6

About 4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide

4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide (PubChem CID 78835011) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide
PubChem CID78835011
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)CNc3ccc(C)cc3)sc2C)cc1
InChIInChI=1S/C22H23N3O3S/c1-14-4-8-17(9-5-14)23-13-21(26)24-25-22(27)20-12-19(15(2)29-20)16-6-10-18(28-3)11-7-16/h4-12,23H,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyQQEHVPKFCRXJOV-UHFFFAOYSA-N
XLogP3.91
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.91
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

4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide
CID 55939760
4-(4-methoxyphenyl)-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120831426
3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide
CID 22829646
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78779390
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119572194
5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide
CID 18140176
4-methyl-N'-[2-(4-methylanilino)acetyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 18293182
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(3-methylphenyl)thiourea
CID 8617470

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide (CID 78835011) is 4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)CNc3ccc(C)cc3)sc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide?
The InChIKey is QQEHVPKFCRXJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14-4-8-17(9-5-14)23-13-21(26)24-25-22(27)20-12-19(15(2)29-20)16-6-10-18(28-3)11-7-16/h4-12,23H,13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide?
4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide has a molecular weight of 409.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 78835011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).