N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

C18H14ClN3O2S — CID 26591240

IUPACN-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H14ClN3O2S/c19-14-6-5-13(17(23)21-11-12-3-1-7-20-10-12)9-15(14)22-18(24)16-4-2-8-25-16/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKeyGCQULXWVZPGYJF-UHFFFAOYSA-N
MW371.85 g/mol
LogP3.98
Rot. Bonds5

About N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 26591240) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID26591240
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H14ClN3O2S/c19-14-6-5-13(17(23)21-11-12-3-1-7-20-10-12)9-15(14)22-18(24)16-4-2-8-25-16/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKeyGCQULXWVZPGYJF-UHFFFAOYSA-N
XLogP3.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 46798645
N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 46669143
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[5-[[3-(butanoylamino)phenyl]methylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 60514903
N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55957894
N-[5-[(benzylcarbamothioylamino)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 26837214
N-[2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 37158645
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46652846
N-[2-chloro-5-(4-imidazol-1-ylbutylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55977431
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
N-(4-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 78965933

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 26591240) is N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NCc1cccnc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is GCQULXWVZPGYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-14-6-5-13(17(23)21-11-12-3-1-7-20-10-12)9-15(14)22-18(24)16-4-2-8-25-16/h1-10H,11H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 26591240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).