2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide

C17H17ClN4O2S — CID 122245681

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cn(-c2cccs2)nn1
InChIInChI=1S/C17H17ClN4O2S/c1-17(2,24-14-7-5-12(18)6-8-14)16(23)19-10-13-11-22(21-20-13)15-4-3-9-25-15/h3-9,11H,10H2,1-2H3,(H,19,23)
InChIKeyNGSIJQQEPGUAJA-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide (PubChem CID 122245681) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide
PubChem CID122245681
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cn(-c2cccs2)nn1
InChIInChI=1S/C17H17ClN4O2S/c1-17(2,24-14-7-5-12(18)6-8-14)16(23)19-10-13-11-22(21-20-13)15-4-3-9-25-15/h3-9,11H,10H2,1-2H3,(H,19,23)
InChIKeyNGSIJQQEPGUAJA-UHFFFAOYSA-N
XLogP3.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide
CID 126851390
2-[4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698374
2-(4-chlorophenoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropanamide
CID 8917158
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315956
tert-butyl N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]carbamate
CID 178054648
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
CID 60604754
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416
2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide
CID 71797324
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
CID 16867294
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide (CID 122245681) is 2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cn(-c2cccs2)nn1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide?
The InChIKey is NGSIJQQEPGUAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-17(2,24-14-7-5-12(18)6-8-14)16(23)19-10-13-11-22(21-20-13)15-4-3-9-25-15/h3-9,11H,10H2,1-2H3,(H,19,23).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide has a molecular weight of 376.87 g/mol, XLogP of 3.46, 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-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide is sourced from PubChem (CID 122245681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).