cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid

C14H18N2O6S — CID 120678871

IUPACcis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H18N2O6S/c1-22-12-5-4-10(23(15,20)21)7-11(12)13(17)16-9-3-2-8(6-9)14(18)19/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)(H,18,19)(H2,15,20,21)/t8-,9+/m1/s1
InChIKeyONZJNBNTJSOULK-BDAKNGLRSA-N
MW342.37 g/mol
LogP0.33
Rot. Bonds5

About cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678871) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678871
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Namecis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H18N2O6S/c1-22-12-5-4-10(23(15,20)21)7-11(12)13(17)16-9-3-2-8(6-9)14(18)19/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)(H,18,19)(H2,15,20,21)/t8-,9+/m1/s1
InChIKeyONZJNBNTJSOULK-BDAKNGLRSA-N
XLogP0.33
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120679011
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
CID 61125956
cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677489
N-(2-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115687261
cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120678871) is cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid is COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ONZJNBNTJSOULK-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-22-12-5-4-10(23(15,20)21)7-11(12)13(17)16-9-3-2-8(6-9)14(18)19/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)(H,18,19)(H2,15,20,21)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 342.37 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).