2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

C20H23N3O2S — CID 170721743

IUPAC2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cccc(NC(=O)c2[nH]c3cc(C)sc3c2CN2CCOCC2)c1
InChIInChI=1S/C20H23N3O2S/c1-13-4-3-5-15(10-13)21-20(24)18-16(12-23-6-8-25-9-7-23)19-17(22-18)11-14(2)26-19/h3-5,10-11,22H,6-9,12H2,1-2H3,(H,21,24)
InChIKeySPWYJPPLPXGIHD-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.93
Rot. Bonds4

About 2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 170721743) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID170721743
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cccc(NC(=O)c2[nH]c3cc(C)sc3c2CN2CCOCC2)c1
InChIInChI=1S/C20H23N3O2S/c1-13-4-3-5-15(10-13)21-20(24)18-16(12-23-6-8-25-9-7-23)19-17(22-18)11-14(2)26-19/h3-5,10-11,22H,6-9,12H2,1-2H3,(H,21,24)
InChIKeySPWYJPPLPXGIHD-UHFFFAOYSA-N
XLogP3.93
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 174298533
N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139818
2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721646
N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139807
N-(4-cyano-3-pyridinyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721784
N-(3-methylphenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 4209085
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
6-N-(3-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096463
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
methyl 2-ethyl-4-methyl-5-[[3-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 47793381
N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721717
2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108959884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 170721743) is 2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1cccc(NC(=O)c2[nH]c3cc(C)sc3c2CN2CCOCC2)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is SPWYJPPLPXGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-4-3-5-15(10-13)21-20(24)18-16(12-23-6-8-25-9-7-23)19-17(22-18)11-14(2)26-19/h3-5,10-11,22H,6-9,12H2,1-2H3,(H,21,24).
What are the key properties of 2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 170721743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).