2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

C24H30N4O2S — CID 53139630

IUPAC2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1sc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)[nH]c2c1CN1CCCC1
InChIInChI=1S/C24H30N4O2S/c1-17-20(16-27-8-2-3-9-27)23-22(31-17)14-21(26-23)24(29)25-15-18-4-6-19(7-5-18)28-10-12-30-13-11-28/h4-7,14,26H,2-3,8-13,15-16H2,1H3,(H,25,29)
InChIKeyOSQVUSMFOOCKQU-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.90
Rot. Bonds6

About 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139630) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139630
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1sc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)[nH]c2c1CN1CCCC1
InChIInChI=1S/C24H30N4O2S/c1-17-20(16-27-8-2-3-9-27)23-22(31-17)14-21(26-23)24(29)25-15-18-4-6-19(7-5-18)28-10-12-30-13-11-28/h4-7,14,26H,2-3,8-13,15-16H2,1H3,(H,25,29)
InChIKeyOSQVUSMFOOCKQU-UHFFFAOYSA-N
XLogP3.90
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 53139629
N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139653
[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone
CID 53139686
3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide
CID 166205855
4,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 31445799
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86830423
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 8546646

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139630) is 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1sc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)[nH]c2c1CN1CCCC1.
What is the InChIKey of 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OSQVUSMFOOCKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-17-20(16-27-8-2-3-9-27)23-22(31-17)14-21(26-23)24(29)25-15-18-4-6-19(7-5-18)28-10-12-30-13-11-28/h4-7,14,26H,2-3,8-13,15-16H2,1H3,(H,25,29).
What are the key properties of 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).