N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide

C22H27N3OS — CID 1285701

IUPACN-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)NC1CCCCC1
InChIInChI=1S/C22H27N3OS/c26-20(23-17-11-5-2-6-12-17)15-27-22-18-13-7-8-14-19(18)24-21(25-22)16-9-3-1-4-10-16/h1,3-4,9-10,17H,2,5-8,11-15H2,(H,23,26)
InChIKeyZAQUAOCTQWVVTD-UHFFFAOYSA-N
MW381.55 g/mol
LogP4.56
Rot. Bonds5

About N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide (PubChem CID 1285701) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
PubChem CID1285701
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC NameN-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)NC1CCCCC1
InChIInChI=1S/C22H27N3OS/c26-20(23-17-11-5-2-6-12-17)15-27-22-18-13-7-8-14-19(18)24-21(25-22)16-9-3-1-4-10-16/h1,3-4,9-10,17H,2,5-8,11-15H2,(H,23,26)
InChIKeyZAQUAOCTQWVVTD-UHFFFAOYSA-N
XLogP4.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide
CID 35177453
N-cyclohexyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135773967
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902
2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline
CID 15994077
N-cycloheptyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3906065
N-cyclooctyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5019410
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 3125700
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 125117782
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090
N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876870
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116669

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide (CID 1285701) is N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is ZAQUAOCTQWVVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c26-20(23-17-11-5-2-6-12-17)15-27-22-18-13-7-8-14-19(18)24-21(25-22)16-9-3-1-4-10-16/h1,3-4,9-10,17H,2,5-8,11-15H2,(H,23,26).
What are the key properties of N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 381.55 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 1285701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).