1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide

C26H35N3O4S — CID 43045200

IUPAC1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)NCC(c2cccs2)N2CCOCC2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H35N3O4S/c1-3-4-11-29-24(30)17-21(25(29)19-7-9-20(32-2)10-8-19)26(31)27-18-22(23-6-5-16-34-23)28-12-14-33-15-13-28/h5-10,16,21-22,25H,3-4,11-15,17-18H2,1-2H3,(H,27,31)
InChIKeyUAPMYARMSVKFMS-UHFFFAOYSA-N
MW485.65 g/mol
LogP3.64
Rot. Bonds10

About 1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide

1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43045200) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43045200
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)NCC(c2cccs2)N2CCOCC2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H35N3O4S/c1-3-4-11-29-24(30)17-21(25(29)19-7-9-20(32-2)10-8-19)26(31)27-18-22(23-6-5-16-34-23)28-12-14-33-15-13-28/h5-10,16,21-22,25H,3-4,11-15,17-18H2,1-2H3,(H,27,31)
InChIKeyUAPMYARMSVKFMS-UHFFFAOYSA-N
XLogP3.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982983
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 30476387
1-butyl-N-ethoxy-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43048037
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 43045339
1-butyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55660041
1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 42919657
(4S,5S)-1-butyl-5-(4-methoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 39951642
1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55509640
2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 43020169

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 43045200) is 1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)NCC(c2cccs2)N2CCOCC2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UAPMYARMSVKFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-3-4-11-29-24(30)17-21(25(29)19-7-9-20(32-2)10-8-19)26(31)27-18-22(23-6-5-16-34-23)28-12-14-33-15-13-28/h5-10,16,21-22,25H,3-4,11-15,17-18H2,1-2H3,(H,27,31).
What are the key properties of 1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide?
1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43045200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).