1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide

C29H32ClN5O7S — CID 67043997

IUPAC1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)[C@](c3cccnc3OC)(N3CCNCC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C29H32ClN5O7S/c1-33(2)27(36)23-17-31-13-14-34(23)29(20-7-6-12-32-26(20)42-5)21-15-18(30)8-10-22(21)35(28(29)37)43(38,39)25-11-9-19(40-3)16-24(25)41-4/h6-12,15-16,23,31H,13-14,17H2,1-5H3/t23?,29-/m1/s1
InChIKeyQSXOHMBOXRSOPY-GJQLDDCUSA-N
MW630.12 g/mol
LogP2.10
Rot. Bonds8

About 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide

1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 67043997) has the molecular formula C29H32ClN5O7S and a molecular weight of 630.12 g/mol. Its IUPAC name is 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide
PubChem CID67043997
Molecular FormulaC29H32ClN5O7S
Molecular Weight630.12 g/mol
Exact Mass629.17
IUPAC Name1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)[C@](c3cccnc3OC)(N3CCNCC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C29H32ClN5O7S/c1-33(2)27(36)23-17-31-13-14-34(23)29(20-7-6-12-32-26(20)42-5)21-15-18(30)8-10-22(21)35(28(29)37)43(38,39)25-11-9-19(40-3)16-24(25)41-4/h6-12,15-16,23,31H,13-14,17H2,1-5H3/t23?,29-/m1/s1
InChIKeyQSXOHMBOXRSOPY-GJQLDDCUSA-N
XLogP2.10
TPSA130.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.12
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide 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 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide (CID 67043997) is 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2C(=O)[C@](c3cccnc3OC)(N3CCNCC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is QSXOHMBOXRSOPY-GJQLDDCUSA-N. The full InChI is InChI=1S/C29H32ClN5O7S/c1-33(2)27(36)23-17-31-13-14-34(23)29(20-7-6-12-32-26(20)42-5)21-15-18(30)8-10-22(21)35(28(29)37)43(38,39)25-11-9-19(40-3)16-24(25)41-4/h6-12,15-16,23,31H,13-14,17H2,1-5H3/t23?,29-/m1/s1.
What are the key properties of 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide?
1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 630.12 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 67043997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).