4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide

C19H23ClN2O2S — CID 110628679

IUPAC4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide
SMILESCc1csc(C(CC(C)C)NC(=O)CCC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C19H23ClN2O2S/c1-12(2)10-16(19-21-13(3)11-25-19)22-18(24)9-8-17(23)14-6-4-5-7-15(14)20/h4-7,11-12,16H,8-10H2,1-3H3,(H,22,24)
InChIKeyLJBNXEMNVYYDTF-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.97
Rot. Bonds8

About 4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide

4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide (PubChem CID 110628679) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide
PubChem CID110628679
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide
SMILESCc1csc(C(CC(C)C)NC(=O)CCC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C19H23ClN2O2S/c1-12(2)10-16(19-21-13(3)11-25-19)22-18(24)9-8-17(23)14-6-4-5-7-15(14)20/h4-7,11-12,16H,8-10H2,1-3H3,(H,22,24)
InChIKeyLJBNXEMNVYYDTF-UHFFFAOYSA-N
XLogP4.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
CID 110628634
2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
CID 110628639
2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 110289706
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110628653
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037
1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide
CID 110308146
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110308155
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
CID 110025280

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide (CID 110628679) is 4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide is Cc1csc(C(CC(C)C)NC(=O)CCC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide?
The InChIKey is LJBNXEMNVYYDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-12(2)10-16(19-21-13(3)11-25-19)22-18(24)9-8-17(23)14-6-4-5-7-15(14)20/h4-7,11-12,16H,8-10H2,1-3H3,(H,22,24).
What are the key properties of 4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide?
4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide has a molecular weight of 378.93 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide is sourced from PubChem (CID 110628679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).