N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

C18H15N3O2S — CID 24653521

IUPACN-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccncc1)c1cccs1
InChIInChI=1S/C18H15N3O2S/c22-17(20-12-13-7-9-19-10-8-13)14-4-1-2-5-15(14)21-18(23)16-6-3-11-24-16/h1-11H,12H2,(H,20,22)(H,21,23)
InChIKeySJNPLIPQZSMPMK-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 24653521) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID24653521
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccncc1)c1cccs1
InChIInChI=1S/C18H15N3O2S/c22-17(20-12-13-7-9-19-10-8-13)14-4-1-2-5-15(14)21-18(23)16-6-3-11-24-16/h1-11H,12H2,(H,20,22)(H,21,23)
InChIKeySJNPLIPQZSMPMK-UHFFFAOYSA-N
XLogP3.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368
N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55843532
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24653539
N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30833133
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
N-benzylthiophene-2-carboxamide
CID 574227
2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 63107619
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24681758
N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6233590
N-[2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55933929

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 24653521) is N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)NCc1ccncc1)c1cccs1.
What is the InChIKey of N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is SJNPLIPQZSMPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-17(20-12-13-7-9-19-10-8-13)14-4-1-2-5-15(14)21-18(23)16-6-3-11-24-16/h1-11H,12H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24653521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).