2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide

C19H19ClN4O2S — CID 55473008

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
SMILESCn1cnnc1Sc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN4O2S/c1-19(2,26-15-8-4-13(20)5-9-15)17(25)22-14-6-10-16(11-7-14)27-18-23-21-12-24(18)3/h4-12H,1-3H3,(H,22,25)
InChIKeyLNAAWSMEYFOFEP-UHFFFAOYSA-N
MW402.91 g/mol
LogP4.42
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide (PubChem CID 55473008) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
PubChem CID55473008
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
SMILESCn1cnnc1Sc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN4O2S/c1-19(2,26-15-8-4-13(20)5-9-15)17(25)22-14-6-10-16(11-7-14)27-18-23-21-12-24(18)3/h4-12H,1-3H3,(H,22,25)
InChIKeyLNAAWSMEYFOFEP-UHFFFAOYSA-N
XLogP4.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
CID 134003332
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
2-(2,4-dichlorophenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
CID 55473094
2-(3-chlorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 55493849
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 7638240
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 30308365
2-(4-chlorophenoxy)-2-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 78890225
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide
CID 78835799
2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide
CID 47927297

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide (CID 55473008) is 2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide is Cn1cnnc1Sc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide?
The InChIKey is LNAAWSMEYFOFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-19(2,26-15-8-4-13(20)5-9-15)17(25)22-14-6-10-16(11-7-14)27-18-23-21-12-24(18)3/h4-12H,1-3H3,(H,22,25).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide has a molecular weight of 402.91 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide is sourced from PubChem (CID 55473008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).