cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid

C17H24N2O6S — CID 120677637

IUPACcis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C17H24N2O6S/c1-11(2)25-15-7-5-13(6-8-15)19-26(23,24)10-16(20)18-14-4-3-12(9-14)17(21)22/h5-8,11-12,14,19H,3-4,9-10H2,1-2H3,(H,18,20)(H,21,22)/t12-,14+/m1/s1
InChIKeyJCJRWLGIVMOAEU-OCCSQVGLSA-N
MW384.45 g/mol
LogP1.59
Rot. Bonds8

About cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677637) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677637
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Namecis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C17H24N2O6S/c1-11(2)25-15-7-5-13(6-8-15)19-26(23,24)10-16(20)18-14-4-3-12(9-14)17(21)22/h5-8,11-12,14,19H,3-4,9-10H2,1-2H3,(H,18,20)(H,21,22)/t12-,14+/m1/s1
InChIKeyJCJRWLGIVMOAEU-OCCSQVGLSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]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-piperidin-4-yl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 119387593
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451342
5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid
CID 122118589
N-(4-methylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55826239
cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676145
3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid
CID 119212048
2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid
CID 119198613
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
N-(2-piperidin-3-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 119556769
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55822574
2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 55967104
2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 119401538

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 120677637) is cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JCJRWLGIVMOAEU-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-11(2)25-15-7-5-13(6-8-15)19-26(23,24)10-16(20)18-14-4-3-12(9-14)17(21)22/h5-8,11-12,14,19H,3-4,9-10H2,1-2H3,(H,18,20)(H,21,22)/t12-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 384.45 g/mol, XLogP of 1.59, 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-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).