methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate

C24H21FN2O3S — CID 75769576

IUPACmethyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc2sccc2n1Cc1cccc(F)c1
InChIInChI=1S/C24H21FN2O3S/c1-30-24(29)19(13-16-6-3-2-4-7-16)26-23(28)21-14-22-20(10-11-31-22)27(21)15-17-8-5-9-18(25)12-17/h2-12,14,19H,13,15H2,1H3,(H,26,28)
InChIKeyKQJKHPMBZHPCHN-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.40
Rot. Bonds7

About methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate

methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate (PubChem CID 75769576) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
PubChem CID75769576
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC Namemethyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc2sccc2n1Cc1cccc(F)c1
InChIInChI=1S/C24H21FN2O3S/c1-30-24(29)19(13-16-6-3-2-4-7-16)26-23(28)21-14-22-20(10-11-31-22)27(21)15-17-8-5-9-18(25)12-17/h2-12,14,19H,13,15H2,1H3,(H,26,28)
InChIKeyKQJKHPMBZHPCHN-UHFFFAOYSA-N
XLogP4.40
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052185
4-[(3-fluorophenyl)methyl]-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039079
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
N-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052152
methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718452
methyl (2S)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718453
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate
CID 91643376
4-[(3-fluorophenyl)methyl]-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]thieno[3,2-b]pyrrole-5-carboxamide
CID 98475464

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate (CID 75769576) is methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1cc2sccc2n1Cc1cccc(F)c1.
What is the InChIKey of methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is KQJKHPMBZHPCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-30-24(29)19(13-16-6-3-2-4-7-16)26-23(28)21-14-22-20(10-11-31-22)27(21)15-17-8-5-9-18(25)12-17/h2-12,14,19H,13,15H2,1H3,(H,26,28).
What are the key properties of methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 436.51 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 75769576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).