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

C16H20N2O5S — CID 120676463

IUPACcis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C16H20N2O5S/c1-2-8-17-24(22,23)14-5-3-4-11(10-14)15(19)18-13-7-6-12(9-13)16(20)21/h2-5,10,12-13,17H,1,6-9H2,(H,18,19)(H,20,21)/t12-,13+/m0/s1
InChIKeyJHQCEJLQSMAHNG-QWHCGFSZSA-N
MW352.41 g/mol
LogP1.13
Rot. Bonds7

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

cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676463) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676463
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Namecis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C16H20N2O5S/c1-2-8-17-24(22,23)14-5-3-4-11(10-14)15(19)18-13-7-6-12(9-13)16(20)21/h2-5,10,12-13,17H,1,6-9H2,(H,18,19)(H,20,21)/t12-,13+/m0/s1
InChIKeyJHQCEJLQSMAHNG-QWHCGFSZSA-N
XLogP1.13
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230330
cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677215
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119600579
cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120674975
5-methyl-1-[3-(prop-2-enylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 122119219
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55951606
N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55717526

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 120676463) is cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid is C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c1.
What is the InChIKey of cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JHQCEJLQSMAHNG-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-2-8-17-24(22,23)14-5-3-4-11(10-14)15(19)18-13-7-6-12(9-13)16(20)21/h2-5,10,12-13,17H,1,6-9H2,(H,18,19)(H,20,21)/t12-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 352.41 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).