5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one

C32H33ClN4O6S — CID 16679121

IUPAC5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
SMILESCCNCc1ccc(OC)c(C2(N3CCC[C@H]3c3ncco3)C(=O)N(S(=O)(=O)c3ccccc3OC)c3ccc(Cl)cc32)c1
InChIInChI=1S/C32H33ClN4O6S/c1-4-34-20-21-11-14-27(41-2)24(18-21)32(36-16-7-8-26(36)30-35-15-17-43-30)23-19-22(33)12-13-25(23)37(31(32)38)44(39,40)29-10-6-5-9-28(29)42-3/h5-6,9-15,17-19,26,34H,4,7-8,16,20H2,1-3H3/t26-,32?/m0/s1
InChIKeyZVDKCQSSYMJDDC-RNWYOQHESA-N
MW637.16 g/mol
LogP5.27
Rot. Bonds10

About 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one

5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one (PubChem CID 16679121) has the molecular formula C32H33ClN4O6S and a molecular weight of 637.16 g/mol. Its IUPAC name is 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
PubChem CID16679121
Molecular FormulaC32H33ClN4O6S
Molecular Weight637.16 g/mol
Exact Mass636.18
IUPAC Name5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
SMILESCCNCc1ccc(OC)c(C2(N3CCC[C@H]3c3ncco3)C(=O)N(S(=O)(=O)c3ccccc3OC)c3ccc(Cl)cc32)c1
InChIInChI=1S/C32H33ClN4O6S/c1-4-34-20-21-11-14-27(41-2)24(18-21)32(36-16-7-8-26(36)30-35-15-17-43-30)23-19-22(33)12-13-25(23)37(31(32)38)44(39,40)29-10-6-5-9-28(29)42-3/h5-6,9-15,17-19,26,34H,4,7-8,16,20H2,1-3H3/t26-,32?/m0/s1
InChIKeyZVDKCQSSYMJDDC-RNWYOQHESA-N
XLogP5.27
TPSA114.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.16
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?
The IUPAC name of 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one (CID 16679121) is 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one.
What is the SMILES notation for 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?
The canonical SMILES for 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one is CCNCc1ccc(OC)c(C2(N3CCC[C@H]3c3ncco3)C(=O)N(S(=O)(=O)c3ccccc3OC)c3ccc(Cl)cc32)c1.
What is the InChIKey of 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?
The InChIKey is ZVDKCQSSYMJDDC-RNWYOQHESA-N. The full InChI is InChI=1S/C32H33ClN4O6S/c1-4-34-20-21-11-14-27(41-2)24(18-21)32(36-16-7-8-26(36)30-35-15-17-43-30)23-19-22(33)12-13-25(23)37(31(32)38)44(39,40)29-10-6-5-9-28(29)42-3/h5-6,9-15,17-19,26,34H,4,7-8,16,20H2,1-3H3/t26-,32?/m0/s1.
What are the key properties of 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?
5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one has a molecular weight of 637.16 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(2-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one is sourced from PubChem (CID 16679121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).