5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one

C32H33ClN4O6S — CID 67446011

About 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one

5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one (PubChem CID 67446011) has the molecular formula C32H33ClN4O6S and a molecular weight of 637.16 g/mol. Its IUPAC name is 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one.

Molecular Properties

• Compound Name: 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
• PubChem CID: 67446011
• Molecular Formula: C32H33ClN4O6S
• Molecular Weight: 637.16 g/mol
• Exact Mass: 636.18
• IUPAC Name: 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
• SMILES: CNCc1ccc(OC)c(C2(N3CCC[C@@]3(C)c3ncco3)C(=O)N(S(=O)(=O)c3ccc(OC)cc3)c3ccc(Cl)cc32)c1
• InChI: InChI=1S/C32H33ClN4O6S/c1-31(29-35-15-17-43-29)14-5-16-36(31)32(26-18-21(20-34-2)6-13-28(26)42-4)25-19-22(33)7-12-27(25)37(30(32)38)44(39,40)24-10-8-23(41-3)9-11-24/h6-13,15,17-19,34H,5,14,16,20H2,1-4H3/t31-,32?/m0/s1
• InChIKey: LTAOVEKVTMZBFQ-CYZZXXEPSA-N
• XLogP: 5.05
• TPSA: 114.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.16
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

The IUPAC name of 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one (CID 67446011) is 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one.

What is the SMILES notation for 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

The canonical SMILES for 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one is CNCc1ccc(OC)c(C2(N3CCC[C@@]3(C)c3ncco3)C(=O)N(S(=O)(=O)c3ccc(OC)cc3)c3ccc(Cl)cc32)c1.

What is the InChIKey of 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

The InChIKey is LTAOVEKVTMZBFQ-CYZZXXEPSA-N. The full InChI is InChI=1S/C32H33ClN4O6S/c1-31(29-35-15-17-43-29)14-5-16-36(31)32(26-18-21(20-34-2)6-13-28(26)42-4)25-19-22(33)7-12-27(25)37(30(32)38)44(39,40)24-10-8-23(41-3)9-11-24/h6-13,15,17-19,34H,5,14,16,20H2,1-4H3/t31-,32?/m0/s1.

What are the key properties of 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one has a molecular weight of 637.16 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[2-methoxy-5-(methylaminomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one is sourced from PubChem (CID 67446011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).