5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

C22H19N5O2S — CID 78861256

IUPAC5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(Cn3cccn3)c2)s1
InChIInChI=1S/C22H19N5O2S/c28-21(24-18-9-4-6-16(14-18)15-27-13-5-12-23-27)19-10-11-20(30-19)26-22(29)25-17-7-2-1-3-8-17/h1-14H,15H2,(H,24,28)(H2,25,26,29)
InChIKeyNKEOZHKABDFUDW-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.89
Rot. Bonds6

About 5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 78861256) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID78861256
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(Cn3cccn3)c2)s1
InChIInChI=1S/C22H19N5O2S/c28-21(24-18-9-4-6-16(14-18)15-27-13-5-12-23-27)19-10-11-20(30-19)26-22(29)25-17-7-2-1-3-8-17/h1-14H,15H2,(H,24,28)(H2,25,26,29)
InChIKeyNKEOZHKABDFUDW-UHFFFAOYSA-N
XLogP4.89
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(phenylcarbamoylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 112815001
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 55612844
5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86921803
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
1-oxido-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridin-1-ium-2-carboxamide
CID 75532259
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 75400123
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 51999455
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 39696841

Frequently Asked Questions

What is the IUPAC name of 5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (CID 78861256) is 5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(Cn3cccn3)c2)s1.
What is the InChIKey of 5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is NKEOZHKABDFUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c28-21(24-18-9-4-6-16(14-18)15-27-13-5-12-23-27)19-10-11-20(30-19)26-22(29)25-17-7-2-1-3-8-17/h1-14H,15H2,(H,24,28)(H2,25,26,29).
What are the key properties of 5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 78861256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).