2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide

C20H23Cl2N3O2S — CID 146667537

IUPAC2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
SMILESCOCCN(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3)ccc2Cl)c1
InChIInChI=1S/C20H23Cl2N3O2S/c1-24(7-8-27-2)17-11-14(21)10-15(12-17)23-20(26)18-13-16(4-5-19(18)22)25-6-3-9-28-25/h4-5,10-13H,3,6-9H2,1-2H3,(H,23,26)
InChIKeyIMPUQQRPRPATTL-UHFFFAOYSA-N
MW440.40 g/mol
LogP5.19
Rot. Bonds7

About 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide (PubChem CID 146667537) has the molecular formula C20H23Cl2N3O2S and a molecular weight of 440.40 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
PubChem CID146667537
Molecular FormulaC20H23Cl2N3O2S
Molecular Weight440.40 g/mol
Exact Mass439.09
IUPAC Name2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
SMILESCOCCN(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3)ccc2Cl)c1
InChIInChI=1S/C20H23Cl2N3O2S/c1-24(7-8-27-2)17-11-14(21)10-15(12-17)23-20(26)18-13-16(4-5-19(18)22)25-6-3-9-28-25/h4-5,10-13H,3,6-9H2,1-2H3,(H,23,26)
InChIKeyIMPUQQRPRPATTL-UHFFFAOYSA-N
XLogP5.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide (CID 146667537) is 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide is COCCN(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
The InChIKey is IMPUQQRPRPATTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2S/c1-24(7-8-27-2)17-11-14(21)10-15(12-17)23-20(26)18-13-16(4-5-19(18)22)25-6-3-9-28-25/h4-5,10-13H,3,6-9H2,1-2H3,(H,23,26).
What are the key properties of 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide has a molecular weight of 440.40 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146667537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).