(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one

C29H27ClN4O6S2 — CID 54581532

IUPAC(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3nccs3)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C29H27ClN4O6S2/c1-38-19-9-11-25(24(17-19)39-2)42(36,37)34-22-10-8-18(30)16-21(22)29(28(34)35,20-6-4-12-31-26(20)40-3)33-14-5-7-23(33)27-32-13-15-41-27/h4,6,8-13,15-17,23H,5,7,14H2,1-3H3/t23?,29-/m0/s1
InChIKeyYTAMJXNYZKCVAK-IZCXSWDTSA-N
MW627.14 g/mol
LogP5.03
Rot. Bonds8

About (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one

(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one (PubChem CID 54581532) has the molecular formula C29H27ClN4O6S2 and a molecular weight of 627.14 g/mol. Its IUPAC name is (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one
PubChem CID54581532
Molecular FormulaC29H27ClN4O6S2
Molecular Weight627.14 g/mol
Exact Mass626.11
IUPAC Name(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3nccs3)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C29H27ClN4O6S2/c1-38-19-9-11-25(24(17-19)39-2)42(36,37)34-22-10-8-18(30)16-21(22)29(28(34)35,20-6-4-12-31-26(20)40-3)33-14-5-7-23(33)27-32-13-15-41-27/h4,6,8-13,15-17,23H,5,7,14H2,1-3H3/t23?,29-/m0/s1
InChIKeyYTAMJXNYZKCVAK-IZCXSWDTSA-N
XLogP5.03
TPSA111.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.14
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-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 (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one?
The IUPAC name of (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one (CID 54581532) is (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one.
What is the SMILES notation for (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one?
The canonical SMILES for (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one is COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3nccs3)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one?
The InChIKey is YTAMJXNYZKCVAK-IZCXSWDTSA-N. The full InChI is InChI=1S/C29H27ClN4O6S2/c1-38-19-9-11-25(24(17-19)39-2)42(36,37)34-22-10-8-18(30)16-21(22)29(28(34)35,20-6-4-12-31-26(20)40-3)33-14-5-7-23(33)27-32-13-15-41-27/h4,6,8-13,15-17,23H,5,7,14H2,1-3H3/t23?,29-/m0/s1.
What are the key properties of (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one?
(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one has a molecular weight of 627.14 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-3-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]indol-2-one is sourced from PubChem (CID 54581532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).