N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C17H21ClN2O2S — CID 38013271

IUPACN-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C17H21ClN2O2S/c1-4-12-6-7-14(18)13(5-2)16(12)19-15(21)8-9-20-11(3)10-23-17(20)22/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyAVFWCCZYKCBFQG-UHFFFAOYSA-N
MW352.89 g/mol
LogP4.03
Rot. Bonds6

About N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 38013271) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID38013271
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C17H21ClN2O2S/c1-4-12-6-7-14(18)13(5-2)16(12)19-15(21)8-9-20-11(3)10-23-17(20)22/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyAVFWCCZYKCBFQG-UHFFFAOYSA-N
XLogP4.03
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
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N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
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N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 2448170
2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide
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[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate
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N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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N-(2-hydroxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 46538944
N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide
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N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 38013271) is N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is CCc1ccc(Cl)c(CC)c1NC(=O)CCn1c(C)csc1=O.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is AVFWCCZYKCBFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-4-12-6-7-14(18)13(5-2)16(12)19-15(21)8-9-20-11(3)10-23-17(20)22/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 352.89 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 38013271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).