methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate

C18H18ClNO3S — CID 55571866

IUPACmethyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCCC1
InChIInChI=1S/C18H18ClNO3S/c1-23-17(22)18(10-2-3-11-18)20-16(21)15-9-8-14(24-15)12-4-6-13(19)7-5-12/h4-9H,2-3,10-11H2,1H3,(H,20,21)
InChIKeyRGSSUPLVKXASJC-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.28
Rot. Bonds4

About methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate

methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate (PubChem CID 55571866) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate
PubChem CID55571866
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Namemethyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCCC1
InChIInChI=1S/C18H18ClNO3S/c1-23-17(22)18(10-2-3-11-18)20-16(21)15-9-8-14(24-15)12-4-6-13(19)7-5-12/h4-9H,2-3,10-11H2,1H3,(H,20,21)
InChIKeyRGSSUPLVKXASJC-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate 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 methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate (CID 55571866) is methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCCC1.
What is the InChIKey of methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate?
The InChIKey is RGSSUPLVKXASJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-23-17(22)18(10-2-3-11-18)20-16(21)15-9-8-14(24-15)12-4-6-13(19)7-5-12/h4-9H,2-3,10-11H2,1H3,(H,20,21).
What are the key properties of methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate has a molecular weight of 363.87 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[5-(4-chlorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55571866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).