N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide

C17H25N3O2S — CID 135544646

IUPACN-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSc1nc2c(c(=O)[nH]1)CCCC2)C1CCCCC1
InChIInChI=1S/C17H25N3O2S/c1-20(12-7-3-2-4-8-12)15(21)11-23-17-18-14-10-6-5-9-13(14)16(22)19-17/h12H,2-11H2,1H3,(H,18,19,22)
InChIKeyOGEYWSRGJKUNEG-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.53
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide

N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135544646) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135544646
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSc1nc2c(c(=O)[nH]1)CCCC2)C1CCCCC1
InChIInChI=1S/C17H25N3O2S/c1-20(12-7-3-2-4-8-12)15(21)11-23-17-18-14-10-6-5-9-13(14)16(22)19-17/h12H,2-11H2,1H3,(H,18,19,22)
InChIKeyOGEYWSRGJKUNEG-UHFFFAOYSA-N
XLogP2.53
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 135544646) is N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide is CN(C(=O)CSc1nc2c(c(=O)[nH]1)CCCC2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is OGEYWSRGJKUNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-20(12-7-3-2-4-8-12)15(21)11-23-17-18-14-10-6-5-9-13(14)16(22)19-17/h12H,2-11H2,1H3,(H,18,19,22).
What are the key properties of N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 335.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135544646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).