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

C18H17FN2OS — CID 46039194

IUPAC4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc2sccc2n1CC1CC1
InChIInChI=1S/C18H17FN2OS/c19-14-4-2-1-3-13(14)10-20-18(22)16-9-17-15(7-8-23-17)21(16)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2,(H,20,22)
InChIKeyAERRRGAXZSENBJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.18
Rot. Bonds5

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

4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039194) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039194
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc2sccc2n1CC1CC1
InChIInChI=1S/C18H17FN2OS/c19-14-4-2-1-3-13(14)10-20-18(22)16-9-17-15(7-8-23-17)21(16)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2,(H,20,22)
InChIKeyAERRRGAXZSENBJ-UHFFFAOYSA-N
XLogP4.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
4-[(3,5-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039181
4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039244
4-[(2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46038876
4-(cyclobutylmethyl)-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039248
4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324428
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225317
N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039232
N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039574
4-[(2-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848588
N-ethyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039051

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 46039194) is 4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is O=C(NCc1ccccc1F)c1cc2sccc2n1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is AERRRGAXZSENBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-14-4-2-1-3-13(14)10-20-18(22)16-9-17-15(7-8-23-17)21(16)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2,(H,20,22).
What are the key properties of 4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).