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

C17H24N2O6S — CID 120677603

IUPACcis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C17H24N2O6S/c1-11-3-6-14(26(23,24)18-7-8-25-2)10-15(11)16(20)19-13-5-4-12(9-13)17(21)22/h3,6,10,12-13,18H,4-5,7-9H2,1-2H3,(H,19,20)(H,21,22)/t12-,13+/m1/s1
InChIKeyNMXYNKVLIDXJSZ-OLZOCXBDSA-N
MW384.45 g/mol
LogP0.90
Rot. Bonds8

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

cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677603) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677603
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Namecis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C17H24N2O6S/c1-11-3-6-14(26(23,24)18-7-8-25-2)10-15(11)16(20)19-13-5-4-12(9-13)17(21)22/h3,6,10,12-13,18H,4-5,7-9H2,1-2H3,(H,19,20)(H,21,22)/t12-,13+/m1/s1
InChIKeyNMXYNKVLIDXJSZ-OLZOCXBDSA-N
XLogP0.90
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.90
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-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 119455312
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 36821044
4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230330
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677581
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230116
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55949058
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678871
N-(2-hydroxy-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46652713

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid (CID 120677603) is cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid is COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is NMXYNKVLIDXJSZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-11-3-6-14(26(23,24)18-7-8-25-2)10-15(11)16(20)19-13-5-4-12(9-13)17(21)22/h3,6,10,12-13,18H,4-5,7-9H2,1-2H3,(H,19,20)(H,21,22)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 384.45 g/mol, XLogP of 0.90, 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-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).