N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C23H27N3OS — CID 7210089

IUPACN-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C23H27N3OS/c1-15(2)13-18-9-11-19(12-10-18)16(3)24-22(27)14-28-23-20-7-5-6-8-21(20)25-17(4)26-23/h5-12,15-16H,13-14H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyDSIQYZNXVOZPMM-INIZCTEOSA-N
MW393.56 g/mol
LogP5.11
Rot. Bonds7

About N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7210089) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7210089
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C23H27N3OS/c1-15(2)13-18-9-11-19(12-10-18)16(3)24-22(27)14-28-23-20-7-5-6-8-21(20)25-17(4)26-23/h5-12,15-16H,13-14H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyDSIQYZNXVOZPMM-INIZCTEOSA-N
XLogP5.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78452790
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7145553
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 46672895
N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7144886
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46692649
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133917
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-[1-(4-bromophenyl)ethyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 43055140
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7210089) is N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c2ccccc2n1.
What is the InChIKey of N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is DSIQYZNXVOZPMM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-15(2)13-18-9-11-19(12-10-18)16(3)24-22(27)14-28-23-20-7-5-6-8-21(20)25-17(4)26-23/h5-12,15-16H,13-14H2,1-4H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 393.56 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7210089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).