(3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H24N4O4S2 — CID 41061377

IUPAC(3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)CC1=O
InChIInChI=1S/C23H24N4O4S2/c1-3-31-19-7-5-4-6-18(19)27-12-15(10-21(27)29)22(30)26-23-25-17(13-32-23)20-9-8-16(33-20)11-24-14(2)28/h4-9,13,15H,3,10-12H2,1-2H3,(H,24,28)(H,25,26,30)/t15-/m1/s1
InChIKeyOKJZQGVYVYSOCO-OAHLLOKOSA-N
MW484.60 g/mol
LogP3.90
Rot. Bonds8

About (3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 41061377) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is (3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID41061377
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC Name(3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)CC1=O
InChIInChI=1S/C23H24N4O4S2/c1-3-31-19-7-5-4-6-18(19)27-12-15(10-21(27)29)22(30)26-23-25-17(13-32-23)20-9-8-16(33-20)11-24-14(2)28/h4-9,13,15H,3,10-12H2,1-2H3,(H,24,28)(H,25,26,30)/t15-/m1/s1
InChIKeyOKJZQGVYVYSOCO-OAHLLOKOSA-N
XLogP3.90
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55874617
1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51154516
(2S)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41138041
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55756558
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 32838691
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 30182120
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43059787
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
CID 55373062
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16547907

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 41061377) is (3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1C[C@H](C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)CC1=O.
What is the InChIKey of (3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OKJZQGVYVYSOCO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-3-31-19-7-5-4-6-18(19)27-12-15(10-21(27)29)22(30)26-23-25-17(13-32-23)20-9-8-16(33-20)11-24-14(2)28/h4-9,13,15H,3,10-12H2,1-2H3,(H,24,28)(H,25,26,30)/t15-/m1/s1.
What are the key properties of (3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 41061377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).