4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide

C19H16ClN5OS — CID 95151810

IUPAC4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H16ClN5OS/c1-12(13-2-4-14(5-3-13)25-11-22-10-23-25)24-19(26)16-9-21-8-15(16)17-6-7-18(20)27-17/h2-12,21H,1H3,(H,24,26)/t12-/m1/s1
InChIKeyJFMYWXFLNWYKLB-GFCCVEGCSA-N
MW397.89 g/mol
LogP4.47
Rot. Bonds5

About 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide

4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 95151810) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide
PubChem CID95151810
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H16ClN5OS/c1-12(13-2-4-14(5-3-13)25-11-22-10-23-25)24-19(26)16-9-21-8-15(16)17-6-7-18(20)27-17/h2-12,21H,1H3,(H,24,26)/t12-/m1/s1
InChIKeyJFMYWXFLNWYKLB-GFCCVEGCSA-N
XLogP4.47
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-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

2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 51199209
4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 99794445
4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide
CID 47516911
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
2,4-dichloro-5-fluoro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 78810362
2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31438784
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
2-methyl-1,3-dioxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isoindole-5-carboxamide
CID 39964916
4-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 51218022
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide (CID 95151810) is 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide is C[C@@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is JFMYWXFLNWYKLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-12(13-2-4-14(5-3-13)25-11-22-10-23-25)24-19(26)16-9-21-8-15(16)17-6-7-18(20)27-17/h2-12,21H,1H3,(H,24,26)/t12-/m1/s1.
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide?
4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 397.89 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 95151810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).