cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid

C16H22N2O6S — CID 120678088

IUPACcis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C16H22N2O6S/c1-24-9-8-17-25(22,23)14-6-3-11(4-7-14)15(19)18-13-5-2-12(10-13)16(20)21/h3-4,6-7,12-13,17H,2,5,8-10H2,1H3,(H,18,19)(H,20,21)/t12-,13+/m1/s1
InChIKeyMPJZFXBKEUEBRJ-OLZOCXBDSA-N
MW370.43 g/mol
LogP0.59
Rot. Bonds8

About cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678088) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678088
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Namecis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C16H22N2O6S/c1-24-9-8-17-25(22,23)14-6-3-11(4-7-14)15(19)18-13-5-2-12(10-13)16(20)21/h3-4,6-7,12-13,17H,2,5,8-10H2,1H3,(H,18,19)(H,20,21)/t12-,13+/m1/s1
InChIKeyMPJZFXBKEUEBRJ-OLZOCXBDSA-N
XLogP0.59
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230330
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677340
1-[4-(2-methoxyethylsulfamoyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119091
4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574271
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 82165049
1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355684

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 120678088) is cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid is COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MPJZFXBKEUEBRJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-24-9-8-17-25(22,23)14-6-3-11(4-7-14)15(19)18-13-5-2-12(10-13)16(20)21/h3-4,6-7,12-13,17H,2,5,8-10H2,1H3,(H,18,19)(H,20,21)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).