N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

C16H18IN3O2S — CID 135509326

IUPACN-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2ccc(I)cc2c(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C16H18IN3O2S/c17-10-6-7-13-12(8-10)15(22)20-16(19-13)23-9-14(21)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,21)(H,19,20,22)
InChIKeyCVRSPONVOMONLB-UHFFFAOYSA-N
MW443.31 g/mol
LogP3.07
Rot. Bonds4

About N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135509326) has the molecular formula C16H18IN3O2S and a molecular weight of 443.31 g/mol. Its IUPAC name is N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135509326
Molecular FormulaC16H18IN3O2S
Molecular Weight443.31 g/mol
Exact Mass443.02
IUPAC NameN-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2ccc(I)cc2c(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C16H18IN3O2S/c17-10-6-7-13-12(8-10)15(22)20-16(19-13)23-9-14(21)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,21)(H,19,20,22)
InChIKeyCVRSPONVOMONLB-UHFFFAOYSA-N
XLogP3.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 162538672
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 2086667
N-cyclohexyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135773967
N-cyclopentyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 950856
N-cyclohexyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 51351835
4-chlorophenol;N-cyclohexyl-3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 144584687
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
N-cyclohexyl-2-[[4-oxo-1-(4-sulfamoylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
CID 135521944
N-cyclopentyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135561678
N-cyclohexyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 2989776
(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136827673
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide
CID 4840323

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 135509326) is N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is O=C(CSc1nc2ccc(I)cc2c(=O)[nH]1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is CVRSPONVOMONLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN3O2S/c17-10-6-7-13-12(8-10)15(22)20-16(19-13)23-9-14(21)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,21)(H,19,20,22).
What are the key properties of N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 443.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135509326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).