N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C20H21FN2OS — CID 3740603

IUPACN-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)N(Cc2ccc(F)cc2)C2CCCC2)cc2sccc21
InChIInChI=1S/C20H21FN2OS/c1-22-17-10-11-25-19(17)12-18(22)20(24)23(16-4-2-3-5-16)13-14-6-8-15(21)9-7-14/h6-12,16H,2-5,13H2,1H3
InChIKeyNNIJHACVJDRXGR-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.96
Rot. Bonds4

About N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3740603) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3740603
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC NameN-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)N(Cc2ccc(F)cc2)C2CCCC2)cc2sccc21
InChIInChI=1S/C20H21FN2OS/c1-22-17-10-11-25-19(17)12-18(22)20(24)23(16-4-2-3-5-16)13-14-6-8-15(21)9-7-14/h6-12,16H,2-5,13H2,1H3
InChIKeyNNIJHACVJDRXGR-UHFFFAOYSA-N
XLogP4.96
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 6487103
N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225335
4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039244
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 78814308
[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 6487113
[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 7437599
N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 34134358
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 3228511
[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435838
4-benzyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225214
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437588
4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 6487946

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 3740603) is N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)N(Cc2ccc(F)cc2)C2CCCC2)cc2sccc21.
What is the InChIKey of N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is NNIJHACVJDRXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-22-17-10-11-25-19(17)12-18(22)20(24)23(16-4-2-3-5-16)13-14-6-8-15(21)9-7-14/h6-12,16H,2-5,13H2,1H3.
What are the key properties of N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3740603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).