N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide

C21H20ClN5O2S — CID 24601195

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)Sc1nc2ccccc2c2nc(C)nn12
InChIInChI=1S/C21H20ClN5O2S/c1-11-9-17(18(29-4)10-15(11)22)24-20(28)12(2)30-21-25-16-8-6-5-7-14(16)19-23-13(3)26-27(19)21/h5-10,12H,1-4H3,(H,24,28)
InChIKeyFTSCSDFYYRNIHE-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.68
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide (PubChem CID 24601195) has the molecular formula C21H20ClN5O2S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
PubChem CID24601195
Molecular FormulaC21H20ClN5O2S
Molecular Weight441.94 g/mol
Exact Mass441.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)Sc1nc2ccccc2c2nc(C)nn12
InChIInChI=1S/C21H20ClN5O2S/c1-11-9-17(18(29-4)10-15(11)22)24-20(28)12(2)30-21-25-16-8-6-5-7-14(16)19-23-13(3)26-27(19)21/h5-10,12H,1-4H3,(H,24,28)
InChIKeyFTSCSDFYYRNIHE-UHFFFAOYSA-N
XLogP4.68
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
CID 42886947
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 24520232
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 84919661
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 75834916
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 43014608
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 23914557
N,N-diethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
CID 134038533
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55419970
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylpropanamide
CID 2650525
methyl (2R)-2-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 7214507
N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 42985106
N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
CID 3502941

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide (CID 24601195) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide is COc1cc(Cl)c(C)cc1NC(=O)C(C)Sc1nc2ccccc2c2nc(C)nn12.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide?
The InChIKey is FTSCSDFYYRNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2S/c1-11-9-17(18(29-4)10-15(11)22)24-20(28)12(2)30-21-25-16-8-6-5-7-14(16)19-23-13(3)26-27(19)21/h5-10,12H,1-4H3,(H,24,28).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide has a molecular weight of 441.94 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide is sourced from PubChem (CID 24601195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).