N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide

C18H18N2O3S2 — CID 110393734

IUPACN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C18H18N2O3S2/c1-13-4-2-3-5-15(13)12-25(22,23)19-10-18-20-17(11-24-18)14-6-8-16(21)9-7-14/h2-9,11,19,21H,10,12H2,1H3
InChIKeyCSOSBFYOMSHNGH-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.44
Rot. Bonds6

About N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110393734) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110393734
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C18H18N2O3S2/c1-13-4-2-3-5-15(13)12-25(22,23)19-10-18-20-17(11-24-18)14-6-8-16(21)9-7-14/h2-9,11,19,21H,10,12H2,1H3
InChIKeyCSOSBFYOMSHNGH-UHFFFAOYSA-N
XLogP3.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110318268
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 146469372
2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318286
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110393720
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
CID 110393596
1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110318269
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 110409063
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110393640
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide
CID 86778290
2-(4-fluorophenyl)-N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110393662

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide (CID 110393734) is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCc1nc(-c2ccc(O)cc2)cs1.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is CSOSBFYOMSHNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-13-4-2-3-5-15(13)12-25(22,23)19-10-18-20-17(11-24-18)14-6-8-16(21)9-7-14/h2-9,11,19,21H,10,12H2,1H3.
What are the key properties of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide?
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 374.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110393734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).