N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C25H24N2O4S — CID 30749222

IUPACN-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(C[C@H](NC(=O)Cc2csc(-c3ccco3)n2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-29-20-9-5-17(6-10-20)14-22(18-7-11-21(30-2)12-8-18)27-24(28)15-19-16-32-25(26-19)23-4-3-13-31-23/h3-13,16,22H,14-15H2,1-2H3,(H,27,28)/t22-/m0/s1
InChIKeyFJTDFJOQJYSDEC-QFIPXVFZSA-N
MW448.54 g/mol
LogP5.06
Rot. Bonds9

About N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 30749222) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID30749222
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(C[C@H](NC(=O)Cc2csc(-c3ccco3)n2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-29-20-9-5-17(6-10-20)14-22(18-7-11-21(30-2)12-8-18)27-24(28)15-19-16-32-25(26-19)23-4-3-13-31-23/h3-13,16,22H,14-15H2,1-2H3,(H,27,28)/t22-/m0/s1
InChIKeyFJTDFJOQJYSDEC-QFIPXVFZSA-N
XLogP5.06
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 24664742
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876778
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46436542
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35256411
N-(2-amino-2-oxoethoxy)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 112550759
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 55800950
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55395310

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 30749222) is N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is COc1ccc(C[C@H](NC(=O)Cc2csc(-c3ccco3)n2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is FJTDFJOQJYSDEC-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-29-20-9-5-17(6-10-20)14-22(18-7-11-21(30-2)12-8-18)27-24(28)15-19-16-32-25(26-19)23-4-3-13-31-23/h3-13,16,22H,14-15H2,1-2H3,(H,27,28)/t22-/m0/s1.
What are the key properties of N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 448.54 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30749222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).