N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide

C14H15N3O2S — CID 571260

IUPACN-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)NN)c1C
InChIInChI=1S/C14H15N3O2S/c1-8-9(2)20-14(11(8)13(19)17-15)16-12(18)10-6-4-3-5-7-10/h3-7H,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyAXIOAPLHYMBQBU-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.22
Rot. Bonds3

About N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide

N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 571260) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID571260
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)NN)c1C
InChIInChI=1S/C14H15N3O2S/c1-8-9(2)20-14(11(8)13(19)17-15)16-12(18)10-6-4-3-5-7-10/h3-7H,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyAXIOAPLHYMBQBU-UHFFFAOYSA-N
XLogP2.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 833808
2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide
CID 3632977
2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56500894
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide
CID 39161677
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
4,5-dimethyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 4954977
N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 56695006
4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
CID 16773867
4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 3165980

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide (CID 571260) is N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c(C(=O)NN)c1C.
What is the InChIKey of N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is AXIOAPLHYMBQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-9(2)20-14(11(8)13(19)17-15)16-12(18)10-6-4-3-5-7-10/h3-7H,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 571260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).