methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate

C24H22ClN3O5S — CID 11294993

IUPACmethyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C24H22ClN3O5S/c1-33-24(32)15-12-17(18(13-15)27-23(31)19-9-10-20(25)34-19)26-22(30)14-5-7-16(8-6-14)28-11-3-2-4-21(28)29/h2-11,15,17-18H,12-13H2,1H3,(H,26,30)(H,27,31)/t15-,17-,18+/m0/s1
InChIKeyMCBROZCJNODHBG-RYQLBKOJSA-N
MW499.98 g/mol
LogP3.03
Rot. Bonds6

About methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate

methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate (PubChem CID 11294993) has the molecular formula C24H22ClN3O5S and a molecular weight of 499.98 g/mol. Its IUPAC name is methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate
PubChem CID11294993
Molecular FormulaC24H22ClN3O5S
Molecular Weight499.98 g/mol
Exact Mass499.10
IUPAC Namemethyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C24H22ClN3O5S/c1-33-24(32)15-12-17(18(13-15)27-23(31)19-9-10-20(25)34-19)26-22(30)14-5-7-16(8-6-14)28-11-3-2-4-21(28)29/h2-11,15,17-18H,12-13H2,1H3,(H,26,30)(H,27,31)/t15-,17-,18+/m0/s1
InChIKeyMCBROZCJNODHBG-RYQLBKOJSA-N
XLogP3.03
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]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 (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate (CID 11294993) is methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate is COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate?
The InChIKey is MCBROZCJNODHBG-RYQLBKOJSA-N. The full InChI is InChI=1S/C24H22ClN3O5S/c1-33-24(32)15-12-17(18(13-15)27-23(31)19-9-10-20(25)34-19)26-22(30)14-5-7-16(8-6-14)28-11-3-2-4-21(28)29/h2-11,15,17-18H,12-13H2,1H3,(H,26,30)(H,27,31)/t15-,17-,18+/m0/s1.
What are the key properties of methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate?
methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate has a molecular weight of 499.98 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 11294993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).