N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide

C20H20N2O2S — CID 59432552

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C20H20N2O2S/c1-13-3-5-15(6-4-13)16-9-17(19(24)22-14(2)12-23)11-18(10-16)20-21-7-8-25-20/h3-11,14,23H,12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyPPTFSGHAQSLKSX-CQSZACIVSA-N
MW352.46 g/mol
LogP3.90
Rot. Bonds5

About N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide

N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 59432552) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
PubChem CID59432552
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C20H20N2O2S/c1-13-3-5-15(6-4-13)16-9-17(19(24)22-14(2)12-23)11-18(10-16)20-21-7-8-25-20/h3-11,14,23H,12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyPPTFSGHAQSLKSX-CQSZACIVSA-N
XLogP3.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (CID 59432552) is N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nccs3)c2)cc1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is PPTFSGHAQSLKSX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13-3-5-15(6-4-13)16-9-17(19(24)22-14(2)12-23)11-18(10-16)20-21-7-8-25-20/h3-11,14,23H,12H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 352.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59432552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).