N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

C24H23N3O3S — CID 3524607

IUPACN-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc(C(Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1
InChIInChI=1S/C24H23N3O3S/c1-15-16(2)31-24(27-23(28)19-7-6-14-30-19)21(15)22(26-20-8-4-5-13-25-20)17-9-11-18(29-3)12-10-17/h4-14,22H,1-3H3,(H,25,26)(H,27,28)
InChIKeyGZIJERBGZJUSKF-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.82
Rot. Bonds7

About N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 3524607) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
PubChem CID3524607
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc(C(Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1
InChIInChI=1S/C24H23N3O3S/c1-15-16(2)31-24(27-23(28)19-7-6-14-30-19)21(15)22(26-20-8-4-5-13-25-20)17-9-11-18(29-3)12-10-17/h4-14,22H,1-3H3,(H,25,26)(H,27,28)
InChIKeyGZIJERBGZJUSKF-UHFFFAOYSA-N
XLogP5.82
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide (CID 3524607) is N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide is COc1ccc(C(Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is GZIJERBGZJUSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15-16(2)31-24(27-23(28)19-7-6-14-30-19)21(15)22(26-20-8-4-5-13-25-20)17-9-11-18(29-3)12-10-17/h4-14,22H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 3524607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).