(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide

C21H22N2O4S — CID 8873084

IUPAC(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C21H22N2O4S/c1-4-18(27-14-8-6-5-7-9-14)20(24)23-21-22-17(13-28-21)16-12-15(25-2)10-11-19(16)26-3/h5-13,18H,4H2,1-3H3,(H,22,23,24)/t18-/m1/s1
InChIKeyCEPAMHXGXRSGPN-GOSISDBHSA-N
MW398.48 g/mol
LogP4.62
Rot. Bonds8

About (2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide

(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide (PubChem CID 8873084) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is (2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide
PubChem CID8873084
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C21H22N2O4S/c1-4-18(27-14-8-6-5-7-9-14)20(24)23-21-22-17(13-28-21)16-12-15(25-2)10-11-19(16)26-3/h5-13,18H,4H2,1-3H3,(H,22,23,24)/t18-/m1/s1
InChIKeyCEPAMHXGXRSGPN-GOSISDBHSA-N
XLogP4.62
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 5015587
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119679949
(2S)-2-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,3-dimethylbutanamide
CID 119679944
methyl N-[1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47991752
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 48847769
(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 94816049
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide?
The IUPAC name of (2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide (CID 8873084) is (2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1.
What is the InChIKey of (2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide?
The InChIKey is CEPAMHXGXRSGPN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-4-18(27-14-8-6-5-7-9-14)20(24)23-21-22-17(13-28-21)16-12-15(25-2)10-11-19(16)26-3/h5-13,18H,4H2,1-3H3,(H,22,23,24)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide?
(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide has a molecular weight of 398.48 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide is sourced from PubChem (CID 8873084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).