N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C25H29N3O2S — CID 78835170

IUPACN-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN2CCCC2c2cccc(OC)c2)cs1
InChIInChI=1S/C25H29N3O2S/c1-4-19-9-5-6-12-24(19)28(18(2)29)25-26-21(17-31-25)16-27-14-8-13-23(27)20-10-7-11-22(15-20)30-3/h5-7,9-12,15,17,23H,4,8,13-14,16H2,1-3H3
InChIKeyIEWHVYHOYDPEJJ-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.74
Rot. Bonds7

About N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78835170) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78835170
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN2CCCC2c2cccc(OC)c2)cs1
InChIInChI=1S/C25H29N3O2S/c1-4-19-9-5-6-12-24(19)28(18(2)29)25-26-21(17-31-25)16-27-14-8-13-23(27)20-10-7-11-22(15-20)30-3/h5-7,9-12,15,17,23H,4,8,13-14,16H2,1-3H3
InChIKeyIEWHVYHOYDPEJJ-UHFFFAOYSA-N
XLogP5.74
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 40986377
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CID 112796705
N-[4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78815351
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CID 78817352
2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77097604
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CID 17423134
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 47054143
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 134050920

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 78835170) is N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCc1ccccc1N(C(C)=O)c1nc(CN2CCCC2c2cccc(OC)c2)cs1.
What is the InChIKey of N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IEWHVYHOYDPEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-4-19-9-5-6-12-24(19)28(18(2)29)25-26-21(17-31-25)16-27-14-8-13-23(27)20-10-7-11-22(15-20)30-3/h5-7,9-12,15,17,23H,4,8,13-14,16H2,1-3H3.
What are the key properties of N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 435.59 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78835170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).