N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide

C23H23N3O2S — CID 24579384

IUPACN-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(C(=O)CSc2nc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C23H23N3O2S/c1-14(24-15(2)27)16-7-9-17(10-8-16)21(28)13-29-23-19-5-3-4-6-20(19)25-22(26-23)18-11-12-18/h3-10,14,18H,11-13H2,1-2H3,(H,24,27)
InChIKeyDUOHABKBVZYSKN-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.68
Rot. Bonds7

About N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide

N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide (PubChem CID 24579384) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide
PubChem CID24579384
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(C(=O)CSc2nc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C23H23N3O2S/c1-14(24-15(2)27)16-7-9-17(10-8-16)21(28)13-29-23-19-5-3-4-6-20(19)25-22(26-23)18-11-12-18/h3-10,14,18H,11-13H2,1-2H3,(H,24,27)
InChIKeyDUOHABKBVZYSKN-UHFFFAOYSA-N
XLogP4.68
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 24579297
N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 24601210
N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 1465918
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
CID 24579327
N-[(1S)-1-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 9325831
2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 43814889
N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24579388
4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide
CID 24579377
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 24579397
N-[(1R)-1-[4-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 136847884
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78452790
1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145313

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide (CID 24579384) is N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(C(=O)CSc2nc(C3CC3)nc3ccccc23)cc1.
What is the InChIKey of N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide?
The InChIKey is DUOHABKBVZYSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-14(24-15(2)27)16-7-9-17(10-8-16)21(28)13-29-23-19-5-3-4-6-20(19)25-22(26-23)18-11-12-18/h3-10,14,18H,11-13H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide?
N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 24579384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).