N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide

C17H17N3O2S — CID 31737928

IUPACN'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c(C)s1
InChIInChI=1S/C17H17N3O2S/c1-10-8-13(11(2)23-10)16(21)18-19-17(22)14-9-20(3)15-7-5-4-6-12(14)15/h4-9H,1-3H3,(H,18,21)(H,19,22)
InChIKeyDQOCALWVNZSVSK-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.93
Rot. Bonds2

About N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide

N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide (PubChem CID 31737928) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
PubChem CID31737928
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c(C)s1
InChIInChI=1S/C17H17N3O2S/c1-10-8-13(11(2)23-10)16(21)18-19-17(22)14-9-20(3)15-7-5-4-6-12(14)15/h4-9H,1-3H3,(H,18,21)(H,19,22)
InChIKeyDQOCALWVNZSVSK-UHFFFAOYSA-N
XLogP2.93
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
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'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
CID 26815716
N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33318793
1-(3,5-dimethylphenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 8001040
N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
CID 55556337
4-methyl-N'-(1-methylindole-3-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160995
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
CID 40717339
N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide
CID 40717335
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methyl-N-phenylindole-3-carboxamide
CID 9038340

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide (CID 31737928) is N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c(C)s1.
What is the InChIKey of N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide?
The InChIKey is DQOCALWVNZSVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-8-13(11(2)23-10)16(21)18-19-17(22)14-9-20(3)15-7-5-4-6-12(14)15/h4-9H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide?
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide has a molecular weight of 327.41 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 31737928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).