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

C18H21N3OS — CID 1083053

IUPACN,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C18H21N3OS/c1-21(2)16(22)12-23-18-14-10-6-7-11-15(14)19-17(20-18)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyINWRANVVTDVNMG-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.20
Rot. Bonds4

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

N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide (PubChem CID 1083053) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
PubChem CID1083053
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C18H21N3OS/c1-21(2)16(22)12-23-18-14-10-6-7-11-15(14)19-17(20-18)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyINWRANVVTDVNMG-UHFFFAOYSA-N
XLogP3.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide (CID 1083053) is N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide is CN(C)C(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2.
What is the InChIKey of N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is INWRANVVTDVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-21(2)16(22)12-23-18-14-10-6-7-11-15(14)19-17(20-18)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 327.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 1083053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).