N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide

C23H21N3O2S2 — CID 93479874

About N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide

N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93479874) has the molecular formula C23H21N3O2S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93479874
• Molecular Formula: C23H21N3O2S2
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.11
• IUPAC Name: N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: CSc1ccc([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1
• InChI: InChI=1S/C23H21N3O2S2/c1-15-14-18(23(30-15)26-22(27)19-6-5-13-28-19)21(25-20-7-3-4-12-24-20)16-8-10-17(29-2)11-9-16/h3-14,21H,1-2H3,(H,24,25)(H,26,27)/t21-/m0/s1
• InChIKey: CQMDDPOWGLBMCB-NRFANRHFSA-N
• XLogP: 6.22
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide (CID 93479874) is N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide is CSc1ccc([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1.

What is the InChIKey of N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is CQMDDPOWGLBMCB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3O2S2/c1-15-14-18(23(30-15)26-22(27)19-6-5-13-28-19)21(25-20-7-3-4-12-24-20)16-8-10-17(29-2)11-9-16/h3-14,21H,1-2H3,(H,24,25)(H,26,27)/t21-/m0/s1.

What are the key properties of N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide?

N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).