cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid

C19H26N2O5S — CID 120677581

IUPACcis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C19H26N2O5S/c1-13-5-8-16(27(25,26)21-9-3-2-4-10-21)12-17(13)18(22)20-15-7-6-14(11-15)19(23)24/h5,8,12,14-15H,2-4,6-7,9-11H2,1H3,(H,20,22)(H,23,24)/t14-,15+/m1/s1
InChIKeyDPXIVNQNNNDAHD-CABCVRRESA-N
MW394.49 g/mol
LogP2.15
Rot. Bonds5

About cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120677581) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120677581
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Namecis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C19H26N2O5S/c1-13-5-8-16(27(25,26)21-9-3-2-4-10-21)12-17(13)18(22)20-15-7-6-14(11-15)19(23)24/h5,8,12,14-15H,2-4,6-7,9-11H2,1H3,(H,20,22)(H,23,24)/t14-,15+/m1/s1
InChIKeyDPXIVNQNNNDAHD-CABCVRRESA-N
XLogP2.15
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
5-(azepan-1-ylsulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)-2-methylbenzamide
CID 53281767
2-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 32542953
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603
N-(1-adamantyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 7732546
2-methyl-5-piperidin-1-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2344795
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
2-methyl-5-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2361857

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120677581) is cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DPXIVNQNNNDAHD-CABCVRRESA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-13-5-8-16(27(25,26)21-9-3-2-4-10-21)12-17(13)18(22)20-15-7-6-14(11-15)19(23)24/h5,8,12,14-15H,2-4,6-7,9-11H2,1H3,(H,20,22)(H,23,24)/t14-,15+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 394.49 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).