N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide

C21H21N3O2S — CID 7223501

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)c2ccccc2n1)NC[C@H]1CCCO1
InChIInChI=1S/C21H21N3O2S/c25-19(22-13-16-9-6-12-26-16)14-27-21-23-18-11-5-4-10-17(18)20(24-21)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,22,25)/t16-/m1/s1
InChIKeyJTCLTPKIZCWODJ-MRXNPFEDSA-N
MW379.48 g/mol
LogP3.68
Rot. Bonds6

About N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide

N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide (PubChem CID 7223501) has the molecular formula C21H21N3O2S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
PubChem CID7223501
Molecular FormulaC21H21N3O2S
Molecular Weight379.48 g/mol
Exact Mass379.14
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)c2ccccc2n1)NC[C@H]1CCCO1
InChIInChI=1S/C21H21N3O2S/c25-19(22-13-16-9-6-12-26-16)14-27-21-23-18-11-5-4-10-17(18)20(24-21)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,22,25)/t16-/m1/s1
InChIKeyJTCLTPKIZCWODJ-MRXNPFEDSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 934223
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 934221
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8019525
2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 17412559
2-(2-methylquinazolin-4-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7145707
N-(oxolan-2-ylmethyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 4094395
N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135547329
2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 6616434
2-(2-ethylquinazolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3749912
N-(oxolan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2947527
N-(oxolan-2-ylmethyl)-2-[4-oxo-3-[3-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propyl]quinazolin-2-yl]sulfanylacetamide
CID 46370314
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide
CID 2946947

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide (CID 7223501) is N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide is O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)NC[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is JTCLTPKIZCWODJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-19(22-13-16-9-6-12-26-16)14-27-21-23-18-11-5-4-10-17(18)20(24-21)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 379.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7223501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).