5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C18H16N4O2S — CID 86921803

IUPAC5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccncc2)s1
InChIInChI=1S/C18H16N4O2S/c23-17(20-12-13-8-10-19-11-9-13)15-6-7-16(25-15)22-18(24)21-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H2,21,22,24)
InChIKeyYBHUGKDFOUTNNR-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.72
Rot. Bonds5

About 5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 86921803) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID86921803
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccncc2)s1
InChIInChI=1S/C18H16N4O2S/c23-17(20-12-13-8-10-19-11-9-13)15-6-7-16(25-15)22-18(24)21-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H2,21,22,24)
InChIKeyYBHUGKDFOUTNNR-UHFFFAOYSA-N
XLogP3.72
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(phenylcarbamoylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 112815001
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850259
N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849550
5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 78890544
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254
N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78853961
N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846484
5-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]thiophene-2-carboxamide
CID 78849767
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78890714
5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 78861256
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553

Frequently Asked Questions

What is the IUPAC name of 5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 86921803) is 5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccncc2)s1.
What is the InChIKey of 5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is YBHUGKDFOUTNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c23-17(20-12-13-8-10-19-11-9-13)15-6-7-16(25-15)22-18(24)21-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H2,21,22,24).
What are the key properties of 5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 86921803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).