(4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone

C21H23FN2O3S — CID 66886840

IUPAC(4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCOc1cc(F)ccc1C(=O)c1cc2cc(C)n(CCN3CCOCC3)c2s1
InChIInChI=1S/C21H23FN2O3S/c1-14-11-15-12-19(20(25)17-4-3-16(22)13-18(17)26-2)28-21(15)24(14)6-5-23-7-9-27-10-8-23/h3-4,11-13H,5-10H2,1-2H3
InChIKeyUQJFFZWGXHNHRY-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.72
Rot. Bonds6

About (4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone

(4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone (PubChem CID 66886840) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is (4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
PubChem CID66886840
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name(4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCOc1cc(F)ccc1C(=O)c1cc2cc(C)n(CCN3CCOCC3)c2s1
InChIInChI=1S/C21H23FN2O3S/c1-14-11-15-12-19(20(25)17-4-3-16(22)13-18(17)26-2)28-21(15)24(14)6-5-23-7-9-27-10-8-23/h3-4,11-13H,5-10H2,1-2H3
InChIKeyUQJFFZWGXHNHRY-UHFFFAOYSA-N
XLogP3.72
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 66898285
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-pyridin-4-ylmethanone
CID 66900005
2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 50899586
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone
CID 50898805
(6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(1,4-oxazepan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone
CID 50899020
4-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrole-2-carbonyl]benzonitrile
CID 50898725
(4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione
CID 87184819
(4-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;(2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;(3,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;(2,3-difluorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-phenylmethanone
CID 159629851
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone
CID 22355888
N-[1-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 76983457

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The IUPAC name of (4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone (CID 66886840) is (4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone.
What is the SMILES notation for (4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The canonical SMILES for (4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone is COc1cc(F)ccc1C(=O)c1cc2cc(C)n(CCN3CCOCC3)c2s1.
What is the InChIKey of (4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The InChIKey is UQJFFZWGXHNHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c1-14-11-15-12-19(20(25)17-4-3-16(22)13-18(17)26-2)28-21(15)24(14)6-5-23-7-9-27-10-8-23/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of (4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
(4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone has a molecular weight of 402.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone is sourced from PubChem (CID 66886840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).