N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide

C18H23N3OS — CID 1442575

IUPACN-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
SMILESCCCc1nc(SCC(=O)NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C18H23N3OS/c1-2-7-16-20-15-11-6-5-10-14(15)18(21-16)23-12-17(22)19-13-8-3-4-9-13/h5-6,10-11,13H,2-4,7-9,12H2,1H3,(H,19,22)
InChIKeySONHTIPKNGQDNS-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.73
Rot. Bonds6

About N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide

N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1442575) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
PubChem CID1442575
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
SMILESCCCc1nc(SCC(=O)NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C18H23N3OS/c1-2-7-16-20-15-11-6-5-10-14(15)18(21-16)23-12-17(22)19-13-8-3-4-9-13/h5-6,10-11,13H,2-4,7-9,12H2,1H3,(H,19,22)
InChIKeySONHTIPKNGQDNS-UHFFFAOYSA-N
XLogP3.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide (CID 1442575) is N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide is CCCc1nc(SCC(=O)NC2CCCC2)c2ccccc2n1.
What is the InChIKey of N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is SONHTIPKNGQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-2-7-16-20-15-11-6-5-10-14(15)18(21-16)23-12-17(22)19-13-8-3-4-9-13/h5-6,10-11,13H,2-4,7-9,12H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 329.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1442575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).