5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide

C17H18ClN3O3S — CID 11394868

IUPAC5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)Nc1nccs1
InChIInChI=1S/C17H18ClN3O3S/c1-24-14-9-13(20-15(22)10-4-2-3-5-10)12(18)8-11(14)16(23)21-17-19-6-7-25-17/h6-10H,2-5H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyTWZGNFVYEFAJHE-UHFFFAOYSA-N
MW379.87 g/mol
LogP4.19
Rot. Bonds5

About 5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide

5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11394868) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11394868
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)Nc1nccs1
InChIInChI=1S/C17H18ClN3O3S/c1-24-14-9-13(20-15(22)10-4-2-3-5-10)12(18)8-11(14)16(23)21-17-19-6-7-25-17/h6-10H,2-5H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyTWZGNFVYEFAJHE-UHFFFAOYSA-N
XLogP4.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide 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-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide (CID 11394868) is 5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide is COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)Nc1nccs1.
What is the InChIKey of 5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is TWZGNFVYEFAJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-24-14-9-13(20-15(22)10-4-2-3-5-10)12(18)8-11(14)16(23)21-17-19-6-7-25-17/h6-10H,2-5H2,1H3,(H,20,22)(H,19,21,23).
What are the key properties of 5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 379.87 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11394868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).