N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide

C21H22N2O2S — CID 58033066

IUPACN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
SMILESCOc1ccccc1Cc1cnc(NC(=O)CC(C)c2ccccc2)s1
InChIInChI=1S/C21H22N2O2S/c1-15(16-8-4-3-5-9-16)12-20(24)23-21-22-14-18(26-21)13-17-10-6-7-11-19(17)25-2/h3-11,14-15H,12-13H2,1-2H3,(H,22,23,24)
InChIKeyUDPGIQICVYGWTO-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.87
Rot. Bonds7

About N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide

N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide (PubChem CID 58033066) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
PubChem CID58033066
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
SMILESCOc1ccccc1Cc1cnc(NC(=O)CC(C)c2ccccc2)s1
InChIInChI=1S/C21H22N2O2S/c1-15(16-8-4-3-5-9-16)12-20(24)23-21-22-14-18(26-21)13-17-10-6-7-11-19(17)25-2/h3-11,14-15H,12-13H2,1-2H3,(H,22,23,24)
InChIKeyUDPGIQICVYGWTO-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide?
The IUPAC name of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide (CID 58033066) is N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide.
What is the SMILES notation for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide?
The canonical SMILES for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide is COc1ccccc1Cc1cnc(NC(=O)CC(C)c2ccccc2)s1.
What is the InChIKey of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide?
The InChIKey is UDPGIQICVYGWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15(16-8-4-3-5-9-16)12-20(24)23-21-22-14-18(26-21)13-17-10-6-7-11-19(17)25-2/h3-11,14-15H,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide?
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide has a molecular weight of 366.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide is sourced from PubChem (CID 58033066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).