N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide

C15H17N3O2S — CID 51429705

IUPACN'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccsc2)c(C)c1
InChIInChI=1S/C15H17N3O2S/c1-10-3-4-13(11(2)7-10)16-8-14(19)17-18-15(20)12-5-6-21-9-12/h3-7,9,16H,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNGHUMSQSQMCYJG-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.24
Rot. Bonds4

About N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide

N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide (PubChem CID 51429705) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
PubChem CID51429705
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccsc2)c(C)c1
InChIInChI=1S/C15H17N3O2S/c1-10-3-4-13(11(2)7-10)16-8-14(19)17-18-15(20)12-5-6-21-9-12/h3-7,9,16H,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNGHUMSQSQMCYJG-UHFFFAOYSA-N
XLogP2.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9273255
N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide
CID 56503126
4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088365
N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 55439956
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N'-[2-(2,4-dimethylanilino)acetyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 55382202
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3,4-dimethylphenyl)-4-oxobutanehydrazide
CID 55406874
N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]propane-1-sulfonamide
CID 56504014
N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 55348082
N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide
CID 56503764
4-(cyclopropylamino)-N'-[2-(2,4-dimethylanilino)acetyl]-3-nitrobenzohydrazide
CID 9432237

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide (CID 51429705) is N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2ccsc2)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide?
The InChIKey is NGHUMSQSQMCYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-3-4-13(11(2)7-10)16-8-14(19)17-18-15(20)12-5-6-21-9-12/h3-7,9,16H,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide?
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide has a molecular weight of 303.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide is sourced from PubChem (CID 51429705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).