N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

C26H23N3O4S — CID 55843532

IUPACN-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccncc1
InChIInChI=1S/C26H23N3O4S/c1-32-23-15-19(8-9-22(23)33-17-18-10-12-27-13-11-18)16-28-25(30)20-5-2-3-6-21(20)29-26(31)24-7-4-14-34-24/h2-15H,16-17H2,1H3,(H,28,30)(H,29,31)
InChIKeyGPZQPQFCYMLLEQ-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.91
Rot. Bonds9

About N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55843532) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55843532
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccncc1
InChIInChI=1S/C26H23N3O4S/c1-32-23-15-19(8-9-22(23)33-17-18-10-12-27-13-11-18)16-28-25(30)20-5-2-3-6-21(20)29-26(31)24-7-4-14-34-24/h2-15H,16-17H2,1H3,(H,28,30)(H,29,31)
InChIKeyGPZQPQFCYMLLEQ-UHFFFAOYSA-N
XLogP4.91
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24653521
2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55844320
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide
CID 55964647
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47057863
N-[2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 94831805
N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 27865916
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999279

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55843532) is N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is COc1cc(CNC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccncc1.
What is the InChIKey of N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is GPZQPQFCYMLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-32-23-15-19(8-9-22(23)33-17-18-10-12-27-13-11-18)16-28-25(30)20-5-2-3-6-21(20)29-26(31)24-7-4-14-34-24/h2-15H,16-17H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55843532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).