(2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

C19H22N4O4S — CID 42590140

IUPAC(2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1
InChIInChI=1S/C19H22N4O4S/c1-27-15-5-3-2-4-12(15)8-9-20-17(25)10-13-11-28-19(21-13)23-18(26)14-6-7-16(24)22-14/h2-5,11,14H,6-10H2,1H3,(H,20,25)(H,22,24)(H,21,23,26)/t14-/m1/s1
InChIKeyWLRKUJKBUOZPCT-CQSZACIVSA-N
MW402.48 g/mol
LogP1.27
Rot. Bonds8

About (2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 42590140) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is (2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID42590140
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name(2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1
InChIInChI=1S/C19H22N4O4S/c1-27-15-5-3-2-4-12(15)8-9-20-17(25)10-13-11-28-19(21-13)23-18(26)14-6-7-16(24)22-14/h2-5,11,14H,6-10H2,1H3,(H,20,25)(H,22,24)(H,21,23,26)/t14-/m1/s1
InChIKeyWLRKUJKBUOZPCT-CQSZACIVSA-N
XLogP1.27
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74825048
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18567652
N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881397
N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881445
N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881455
(2S)-N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 42590169
3,5-dimethoxy-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841940
(2S)-5-oxo-N-[4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 42590179
N-[4-[2-(3-acetamidoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881480
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881419
N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881421
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 42590140) is (2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is COc1ccccc1CCNC(=O)Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1.
What is the InChIKey of (2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WLRKUJKBUOZPCT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-27-15-5-3-2-4-12(15)8-9-20-17(25)10-13-11-28-19(21-13)23-18(26)14-6-7-16(24)22-14/h2-5,11,14H,6-10H2,1H3,(H,20,25)(H,22,24)(H,21,23,26)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 42590140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).