2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide

C24H23Cl2N3O5S — CID 11330096

IUPAC2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCC(O)C3)c(C)s2)cc1OC
InChIInChI=1S/C24H23Cl2N3O5S/c1-13-21(23(32)28-9-8-16(30)12-28)27-24(35-13)29(15-5-7-19(33-2)20(11-15)34-3)22(31)17-6-4-14(25)10-18(17)26/h4-7,10-11,16,30H,8-9,12H2,1-3H3
InChIKeySIJLKFPUGNWELN-UHFFFAOYSA-N
MW536.44 g/mol
LogP4.96
Rot. Bonds6

About 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide

2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 11330096) has the molecular formula C24H23Cl2N3O5S and a molecular weight of 536.44 g/mol. Its IUPAC name is 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID11330096
Molecular FormulaC24H23Cl2N3O5S
Molecular Weight536.44 g/mol
Exact Mass535.07
IUPAC Name2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCC(O)C3)c(C)s2)cc1OC
InChIInChI=1S/C24H23Cl2N3O5S/c1-13-21(23(32)28-9-8-16(30)12-28)27-24(35-13)29(15-5-7-19(33-2)20(11-15)34-3)22(31)17-6-4-14(25)10-18(17)26/h4-7,10-11,16,30H,8-9,12H2,1-3H3
InChIKeySIJLKFPUGNWELN-UHFFFAOYSA-N
XLogP4.96
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 11330096) is 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide is COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCC(O)C3)c(C)s2)cc1OC.
What is the InChIKey of 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is SIJLKFPUGNWELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O5S/c1-13-21(23(32)28-9-8-16(30)12-28)27-24(35-13)29(15-5-7-19(33-2)20(11-15)34-3)22(31)17-6-4-14(25)10-18(17)26/h4-7,10-11,16,30H,8-9,12H2,1-3H3.
What are the key properties of 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 536.44 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 11330096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).