N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide

C22H26FN3O2S — CID 3225335

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)N(CCCN2CCOCC2)Cc2ccc(F)cc2)cc2sccc21
InChIInChI=1S/C22H26FN3O2S/c1-24-19-7-14-29-21(19)15-20(24)22(27)26(16-17-3-5-18(23)6-4-17)9-2-8-25-10-12-28-13-11-25/h3-7,14-15H,2,8-13,16H2,1H3
InChIKeyYEIUKGMNOSBYLO-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.74
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225335) has the molecular formula C22H26FN3O2S and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225335
Molecular FormulaC22H26FN3O2S
Molecular Weight415.53 g/mol
Exact Mass415.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)N(CCCN2CCOCC2)Cc2ccc(F)cc2)cc2sccc21
InChIInChI=1S/C22H26FN3O2S/c1-24-19-7-14-29-21(19)15-20(24)22(27)26(16-17-3-5-18(23)6-4-17)9-2-8-25-10-12-28-13-11-25/h3-7,14-15H,2,8-13,16H2,1H3
InChIKeyYEIUKGMNOSBYLO-UHFFFAOYSA-N
XLogP3.74
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3740603
N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 42701086
3-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42701252
1-[(4-fluorophenyl)methyl]-3-heptyl-1-(3-morpholin-4-ylpropyl)thiourea
CID 4662917
2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3649853
3-(2,6-diethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3392124
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437588
4-bromo-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1028604
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide
CID 3541849
2-[dimethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 42776402
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390
1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 4601271

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 3225335) is N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)N(CCCN2CCOCC2)Cc2ccc(F)cc2)cc2sccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YEIUKGMNOSBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2S/c1-24-19-7-14-29-21(19)15-20(24)22(27)26(16-17-3-5-18(23)6-4-17)9-2-8-25-10-12-28-13-11-25/h3-7,14-15H,2,8-13,16H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).