2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide

C19H24N4OS — CID 126853934

IUPAC2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
SMILESCN(C)c1ncc2c(n1)CCC(NC(=O)CSCc1ccccc1)C2
InChIInChI=1S/C19H24N4OS/c1-23(2)19-20-11-15-10-16(8-9-17(15)22-19)21-18(24)13-25-12-14-6-4-3-5-7-14/h3-7,11,16H,8-10,12-13H2,1-2H3,(H,21,24)
InChIKeyLQAVECYMVUNAJT-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.45
Rot. Bonds6

About 2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide

2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide (PubChem CID 126853934) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
PubChem CID126853934
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
SMILESCN(C)c1ncc2c(n1)CCC(NC(=O)CSCc1ccccc1)C2
InChIInChI=1S/C19H24N4OS/c1-23(2)19-20-11-15-10-16(8-9-17(15)22-19)21-18(24)13-25-12-14-6-4-3-5-7-14/h3-7,11,16H,8-10,12-13H2,1-2H3,(H,21,24)
InChIKeyLQAVECYMVUNAJT-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide
CID 126853932
2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
CID 126855492
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide
CID 126853925
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635
2-benzylsulfanyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11704258
2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633748
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
2-(diethylamino)-N-phenyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71835978
2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62366139
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide
CID 68679841
2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 134017051

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide (CID 126853934) is 2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide is CN(C)c1ncc2c(n1)CCC(NC(=O)CSCc1ccccc1)C2.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
The InChIKey is LQAVECYMVUNAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-23(2)19-20-11-15-10-16(8-9-17(15)22-19)21-18(24)13-25-12-14-6-4-3-5-7-14/h3-7,11,16H,8-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide has a molecular weight of 356.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide is sourced from PubChem (CID 126853934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).