N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide

C21H23FN2OS — CID 4541066

IUPACN-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide
SMILESCCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)c1cccs1
InChIInChI=1S/C21H23FN2OS/c1-2-3-11-24(21(25)20-10-6-13-26-20)16-19-9-5-12-23(19)15-17-7-4-8-18(22)14-17/h4-10,12-14H,2-3,11,15-16H2,1H3
InChIKeyZEYPIOVEZHBJKN-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.18
Rot. Bonds8

About N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide

N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 4541066) has the molecular formula C21H23FN2OS and a molecular weight of 370.49 g/mol. Its IUPAC name is N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID4541066
Molecular FormulaC21H23FN2OS
Molecular Weight370.49 g/mol
Exact Mass370.15
IUPAC NameN-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide
SMILESCCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)c1cccs1
InChIInChI=1S/C21H23FN2OS/c1-2-3-11-24(21(25)20-10-6-13-26-20)16-19-9-5-12-23(19)15-17-7-4-8-18(22)14-17/h4-10,12-14H,2-3,11,15-16H2,1H3
InChIKeyZEYPIOVEZHBJKN-UHFFFAOYSA-N
XLogP5.18
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
CID 3618198
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutanamide
CID 3560933
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxybenzamide
CID 4561093
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide
CID 5037355
N-butyl-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 4685996
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,2-diphenylacetamide
CID 3442651
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethoxy-N-pentylbenzamide
CID 4541290
N-butyl-3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42763013
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylacetamide
CID 42764328
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylacetamide
CID 42764320
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylhexanamide
CID 4243560
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-fluoro-N-pentylbenzamide
CID 4212490

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide (CID 4541066) is N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide is CCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)c1cccs1.
What is the InChIKey of N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ZEYPIOVEZHBJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2OS/c1-2-3-11-24(21(25)20-10-6-13-26-20)16-19-9-5-12-23(19)15-17-7-4-8-18(22)14-17/h4-10,12-14H,2-3,11,15-16H2,1H3.
What are the key properties of N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide?
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 4541066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).