cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid

C20H21NO5S — CID 120677215

IUPACcis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(S(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H21NO5S/c22-19(21-17-10-9-16(11-17)20(23)24)15-7-4-8-18(12-15)27(25,26)13-14-5-2-1-3-6-14/h1-8,12,16-17H,9-11,13H2,(H,21,22)(H,23,24)/t16-,17+/m1/s1
InChIKeyJASDUVKSRDRHIC-SJORKVTESA-N
MW387.46 g/mol
LogP2.64
Rot. Bonds6

About cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120677215) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120677215
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Namecis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(S(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H21NO5S/c22-19(21-17-10-9-16(11-17)20(23)24)15-7-4-8-18(12-15)27(25,26)13-14-5-2-1-3-6-14/h1-8,12,16-17H,9-11,13H2,(H,21,22)(H,23,24)/t16-,17+/m1/s1
InChIKeyJASDUVKSRDRHIC-SJORKVTESA-N
XLogP2.64
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)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-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide
CID 119476656
cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120674975
cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676463
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 154868807
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230330
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
cis-(1R,3S)-3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678069

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120677215) is cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(S(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is JASDUVKSRDRHIC-SJORKVTESA-N. The full InChI is InChI=1S/C20H21NO5S/c22-19(21-17-10-9-16(11-17)20(23)24)15-7-4-8-18(12-15)27(25,26)13-14-5-2-1-3-6-14/h1-8,12,16-17H,9-11,13H2,(H,21,22)(H,23,24)/t16-,17+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 387.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).