N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide

C19H23N5OS — CID 27108470

IUPACN-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCCNc1nc(SCC(=O)NC2(C#N)CCCCC2)nc2ccccc12
InChIInChI=1S/C19H23N5OS/c1-2-21-17-14-8-4-5-9-15(14)22-18(23-17)26-12-16(25)24-19(13-20)10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyJNSYEUIOFHGYBZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.50
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide

N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide (PubChem CID 27108470) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
PubChem CID27108470
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCCNc1nc(SCC(=O)NC2(C#N)CCCCC2)nc2ccccc12
InChIInChI=1S/C19H23N5OS/c1-2-21-17-14-8-4-5-9-15(14)22-18(23-17)26-12-16(25)24-19(13-20)10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyJNSYEUIOFHGYBZ-UHFFFAOYSA-N
XLogP3.50
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 40766768
N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9324842
N-(1-cyanocyclohexyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
CID 4819556
N-(1-cyanocyclopentyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416497
N-(1,1-dioxothiolan-3-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 17415616
N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4819488
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 27098324
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 17407158
N-(1-cyanocyclopentyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 55568964
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17407156
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 4822981

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide (CID 27108470) is N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide is CCNc1nc(SCC(=O)NC2(C#N)CCCCC2)nc2ccccc12.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is JNSYEUIOFHGYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-2-21-17-14-8-4-5-9-15(14)22-18(23-17)26-12-16(25)24-19(13-20)10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 369.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 27108470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).