N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide

C26H22ClF2N3O4S2 — CID 172540632

About N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide (PubChem CID 172540632) has the molecular formula C26H22ClF2N3O4S2 and a molecular weight of 578.06 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide
• PubChem CID: 172540632
• Molecular Formula: C26H22ClF2N3O4S2
• Molecular Weight: 578.06 g/mol
• Exact Mass: 577.07
• IUPAC Name: N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide
• SMILES: Cc1sc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ncccc1O[C@H](C)c1cc(F)cc(F)c1
• InChI: InChI=1S/C26H22ClF2N3O4S2/c1-14(16-7-18(28)11-19(29)8-16)36-23-5-4-6-30-25(23)22-13-24(37-15(22)2)26(33)31-20-9-17(27)10-21(12-20)32-38(3,34)35/h4-14,32H,1-3H3,(H,31,33)/t14-/m1/s1
• InChIKey: UIDHPSOWNKVWNS-CQSZACIVSA-N
• XLogP: 6.81
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.06
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide?

The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide (CID 172540632) is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide?

The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ncccc1O[C@H](C)c1cc(F)cc(F)c1.

What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide?

The InChIKey is UIDHPSOWNKVWNS-CQSZACIVSA-N. The full InChI is InChI=1S/C26H22ClF2N3O4S2/c1-14(16-7-18(28)11-19(29)8-16)36-23-5-4-6-30-25(23)22-13-24(37-15(22)2)26(33)31-20-9-17(27)10-21(12-20)32-38(3,34)35/h4-14,32H,1-3H3,(H,31,33)/t14-/m1/s1.

What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide?

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide has a molecular weight of 578.06 g/mol, XLogP of 6.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 172540632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).