N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide

C28H28N2O3S — CID 2194632

IUPACN-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCCOc1ccc(N(C(=O)CCc2ccccc2)c2nc(-c3ccc(OC)cc3)c(C)s2)cc1
InChIInChI=1S/C28H28N2O3S/c1-4-33-25-17-13-23(14-18-25)30(26(31)19-10-21-8-6-5-7-9-21)28-29-27(20(2)34-28)22-11-15-24(32-3)16-12-22/h5-9,11-18H,4,10,19H2,1-3H3
InChIKeyIPJCGYRQHBKNET-UHFFFAOYSA-N
MW472.61 g/mol
LogP6.82
Rot. Bonds9

About N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide

N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 2194632) has the molecular formula C28H28N2O3S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID2194632
Molecular FormulaC28H28N2O3S
Molecular Weight472.61 g/mol
Exact Mass472.18
IUPAC NameN-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCCOc1ccc(N(C(=O)CCc2ccccc2)c2nc(-c3ccc(OC)cc3)c(C)s2)cc1
InChIInChI=1S/C28H28N2O3S/c1-4-33-25-17-13-23(14-18-25)30(26(31)19-10-21-8-6-5-7-9-21)28-29-27(20(2)34-28)22-11-15-24(32-3)16-12-22/h5-9,11-18H,4,10,19H2,1-3H3
InChIKeyIPJCGYRQHBKNET-UHFFFAOYSA-N
XLogP6.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoylamino]benzoic acid
CID 1313486
N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 2194677
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide
CID 1303421
methyl 4-[butanoyl-[4-(4-ethoxyphenyl)-5-ethyl-1,3-thiazol-2-yl]amino]benzoate
CID 2194717
N-benzyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 2332200
N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
CID 990836
2-[2-[benzyl-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 2420287
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide
CID 4044271
3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide
CID 2832379
N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 1313348
N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 2354057
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 2194632) is N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide is CCOc1ccc(N(C(=O)CCc2ccccc2)c2nc(-c3ccc(OC)cc3)c(C)s2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is IPJCGYRQHBKNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3S/c1-4-33-25-17-13-23(14-18-25)30(26(31)19-10-21-8-6-5-7-9-21)28-29-27(20(2)34-28)22-11-15-24(32-3)16-12-22/h5-9,11-18H,4,10,19H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide?
N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 472.61 g/mol, XLogP of 6.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 2194632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).