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

C17H22F3N3OS — CID 2981934

IUPACN-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)NC1CCCCC1
InChIInChI=1S/C17H22F3N3OS/c18-17(19,20)15-12-8-4-5-9-13(12)22-16(23-15)25-10-14(24)21-11-6-2-1-3-7-11/h11H,1-10H2,(H,21,24)
InChIKeyHJWQJMCYZXCOHT-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.92
Rot. Bonds4

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

N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide (PubChem CID 2981934) has the molecular formula C17H22F3N3OS and a molecular weight of 373.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide
PubChem CID2981934
Molecular FormulaC17H22F3N3OS
Molecular Weight373.44 g/mol
Exact Mass373.14
IUPAC NameN-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)NC1CCCCC1
InChIInChI=1S/C17H22F3N3OS/c18-17(19,20)15-12-8-4-5-9-13(12)22-16(23-15)25-10-14(24)21-11-6-2-1-3-7-11/h11H,1-10H2,(H,21,24)
InChIKeyHJWQJMCYZXCOHT-UHFFFAOYSA-N
XLogP3.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide (CID 2981934) is N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide is O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide?
The InChIKey is HJWQJMCYZXCOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3OS/c18-17(19,20)15-12-8-4-5-9-13(12)22-16(23-15)25-10-14(24)21-11-6-2-1-3-7-11/h11H,1-10H2,(H,21,24).
What are the key properties of N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide has a molecular weight of 373.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2981934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).