N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

C22H22N4O2S — CID 24993748

IUPACN-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nccc1-c1sc(C(=O)NC(CN)Cc2ccccc2)cc1-c1ccoc1
InChIInChI=1S/C22H22N4O2S/c1-26-19(7-9-24-26)21-18(16-8-10-28-14-16)12-20(29-21)22(27)25-17(13-23)11-15-5-3-2-4-6-15/h2-10,12,14,17H,11,13,23H2,1H3,(H,25,27)
InChIKeyXABVIOBWJCWPJB-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.71
Rot. Bonds7

About N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 24993748) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID24993748
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nccc1-c1sc(C(=O)NC(CN)Cc2ccccc2)cc1-c1ccoc1
InChIInChI=1S/C22H22N4O2S/c1-26-19(7-9-24-26)21-18(16-8-10-28-14-16)12-20(29-21)22(27)25-17(13-23)11-15-5-3-2-4-6-15/h2-10,12,14,17H,11,13,23H2,1H3,(H,25,27)
InChIKeyXABVIOBWJCWPJB-UHFFFAOYSA-N
XLogP3.71
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (CID 24993748) is N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is Cn1nccc1-c1sc(C(=O)NC(CN)Cc2ccccc2)cc1-c1ccoc1.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is XABVIOBWJCWPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-26-19(7-9-24-26)21-18(16-8-10-28-14-16)12-20(29-21)22(27)25-17(13-23)11-15-5-3-2-4-6-15/h2-10,12,14,17H,11,13,23H2,1H3,(H,25,27).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 24993748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).