N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide

C21H22N2O3S — CID 110629576

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(O)CN(C)C(=O)c2cccc(-c3nc(C)cs3)c2)c1
InChIInChI=1S/C21H22N2O3S/c1-14-13-27-20(22-14)16-7-4-8-17(10-16)21(25)23(2)12-19(24)15-6-5-9-18(11-15)26-3/h4-11,13,19,24H,12H2,1-3H3
InChIKeyIAKBSVSSRDUKKF-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.93
Rot. Bonds6

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 110629576) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID110629576
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(O)CN(C)C(=O)c2cccc(-c3nc(C)cs3)c2)c1
InChIInChI=1S/C21H22N2O3S/c1-14-13-27-20(22-14)16-7-4-8-17(10-16)21(25)23(2)12-19(24)15-6-5-9-18(11-15)26-3/h4-11,13,19,24H,12H2,1-3H3
InChIKeyIAKBSVSSRDUKKF-UHFFFAOYSA-N
XLogP3.93
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 110308725
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide
CID 110629557
3-methoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110723491
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255
3-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]-propan-2-ylamino]propanoic acid
CID 119207680
N,N-bis(2-cyanoethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 166211949
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]-propylamino]acetic acid
CID 86779617
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide
CID 110354990
N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
CID 125143767
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 110629514

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 110629576) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide is COc1cccc(C(O)CN(C)C(=O)c2cccc(-c3nc(C)cs3)c2)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is IAKBSVSSRDUKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-13-27-20(22-14)16-7-4-8-17(10-16)21(25)23(2)12-19(24)15-6-5-9-18(11-15)26-3/h4-11,13,19,24H,12H2,1-3H3.
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 382.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 110629576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).