4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide

C19H21N5O2S — CID 42957346

IUPAC4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
SMILESCC(C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1)n1cncn1
InChIInChI=1S/C19H21N5O2S/c1-14(24-13-20-12-21-24)19(26)23-16-9-7-15(8-10-16)22-18(25)6-2-4-17-5-3-11-27-17/h3,5,7-14H,2,4,6H2,1H3,(H,22,25)(H,23,26)
InChIKeyJMLAFMSJSZSAAR-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.50
Rot. Bonds8

About 4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide

4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide (PubChem CID 42957346) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide.

Molecular Properties

Compound Name4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
PubChem CID42957346
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
SMILESCC(C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1)n1cncn1
InChIInChI=1S/C19H21N5O2S/c1-14(24-13-20-12-21-24)19(26)23-16-9-7-15(8-10-16)22-18(25)6-2-4-17-5-3-11-27-17/h3,5,7-14H,2,4,6H2,1H3,(H,22,25)(H,23,26)
InChIKeyJMLAFMSJSZSAAR-UHFFFAOYSA-N
XLogP3.50
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 42958667
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60509170
N-[4-[3-(furan-2-yl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43071004
N-[4-[3-(4-chlorophenyl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42959524
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 51332838
N-[4-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55653197
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide
CID 46999025
2-amino-3-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide;dihydrochloride
CID 119848887

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide?
The IUPAC name of 4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide (CID 42957346) is 4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide.
What is the SMILES notation for 4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide?
The canonical SMILES for 4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide is CC(C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1)n1cncn1.
What is the InChIKey of 4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide?
The InChIKey is JMLAFMSJSZSAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-14(24-13-20-12-21-24)19(26)23-16-9-7-15(8-10-16)22-18(25)6-2-4-17-5-3-11-27-17/h3,5,7-14H,2,4,6H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide?
4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide has a molecular weight of 383.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide is sourced from PubChem (CID 42957346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).