N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

C25H20ClN3O3S — CID 55957894

IUPACN-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C25H20ClN3O3S/c26-21-11-8-18(14-22(21)29-25(31)23-5-3-13-33-23)24(30)28-15-17-6-9-20(10-7-17)32-16-19-4-1-2-12-27-19/h1-14H,15-16H2,(H,28,30)(H,29,31)
InChIKeyFBPFQHPTOMEVDL-UHFFFAOYSA-N
MW477.97 g/mol
LogP5.56
Rot. Bonds8

About N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55957894) has the molecular formula C25H20ClN3O3S and a molecular weight of 477.97 g/mol. Its IUPAC name is N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55957894
Molecular FormulaC25H20ClN3O3S
Molecular Weight477.97 g/mol
Exact Mass477.09
IUPAC NameN-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C25H20ClN3O3S/c26-21-11-8-18(14-22(21)29-25(31)23-5-3-13-33-23)24(30)28-15-17-6-9-20(10-7-17)32-16-19-4-1-2-12-27-19/h1-14H,15-16H2,(H,28,30)(H,29,31)
InChIKeyFBPFQHPTOMEVDL-UHFFFAOYSA-N
XLogP5.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26591240
N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 46798645
N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 55869328
N-[5-[(benzylcarbamothioylamino)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 26837214
4-chloro-3-(diethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902520
N-[[4-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55902386
5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534175
N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55957132
N-[2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 37158645
N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46652846
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55957894) is N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is FBPFQHPTOMEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3S/c26-21-11-8-18(14-22(21)29-25(31)23-5-3-13-33-23)24(30)28-15-17-6-9-20(10-7-17)32-16-19-4-1-2-12-27-19/h1-14H,15-16H2,(H,28,30)(H,29,31).
What are the key properties of N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 477.97 g/mol, XLogP of 5.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55957894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).