N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

C20H20N4O3S — CID 35387816

IUPACN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1N1CCCC1=O
InChIInChI=1S/C20H20N4O3S/c1-12-22-16(11-28-12)13-8-15(21-10-13)20(26)23-14-5-6-18(27-2)17(9-14)24-7-3-4-19(24)25/h5-6,8-11,21H,3-4,7H2,1-2H3,(H,23,26)
InChIKeySPIKDOSXPOFCSZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.83
Rot. Bonds5

About N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 35387816) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID35387816
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1N1CCCC1=O
InChIInChI=1S/C20H20N4O3S/c1-12-22-16(11-28-12)13-8-15(21-10-13)20(26)23-14-5-6-18(27-2)17(9-14)24-7-3-4-19(24)25/h5-6,8-11,21H,3-4,7H2,1-2H3,(H,23,26)
InChIKeySPIKDOSXPOFCSZ-UHFFFAOYSA-N
XLogP3.83
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 35387582
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8541293
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55743294
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935216
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 92862558
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide (CID 35387816) is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide is COc1ccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is SPIKDOSXPOFCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-12-22-16(11-28-12)13-8-15(21-10-13)20(26)23-14-5-6-18(27-2)17(9-14)24-7-3-4-19(24)25/h5-6,8-11,21H,3-4,7H2,1-2H3,(H,23,26).
What are the key properties of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 35387816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).