N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide

C18H18N4O3S2 — CID 7427701

IUPACN'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
SMILESCC(C)n1c(SCC(=O)NNC(=O)c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C18H18N4O3S2/c1-11(2)22-17(25)12-6-3-4-7-13(12)19-18(22)27-10-15(23)20-21-16(24)14-8-5-9-26-14/h3-9,11H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVDRLQMWNDPNOCB-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.59
Rot. Bonds5

About N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide

N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide (PubChem CID 7427701) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
PubChem CID7427701
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
SMILESCC(C)n1c(SCC(=O)NNC(=O)c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C18H18N4O3S2/c1-11(2)22-17(25)12-6-3-4-7-13(12)19-18(22)27-10-15(23)20-21-16(24)14-8-5-9-26-14/h3-9,11H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVDRLQMWNDPNOCB-UHFFFAOYSA-N
XLogP2.59
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 5199833
N'-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2627146
N-(dicyclopropylmethyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 31191233
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8807428
N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide
CID 17417257
N-(4-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624618
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 8807414
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 55365769
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624633
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27971803
N-(3-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2639350
N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 27971771

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide (CID 7427701) is N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide is CC(C)n1c(SCC(=O)NNC(=O)c2cccs2)nc2ccccc2c1=O.
What is the InChIKey of N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
The InChIKey is VDRLQMWNDPNOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-11(2)22-17(25)12-6-3-4-7-13(12)19-18(22)27-10-15(23)20-21-16(24)14-8-5-9-26-14/h3-9,11H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide has a molecular weight of 402.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 7427701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).