[(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate

C17H20N2O5S — CID 174926939

IUPAC[(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate
SMILESCCCCCS(=O)(=O)ONC(=O)c1c(C(N)=O)ccc2ccccc12
InChIInChI=1S/C17H20N2O5S/c1-2-3-6-11-25(22,23)24-19-17(21)15-13-8-5-4-7-12(13)9-10-14(15)16(18)20/h4-5,7-10H,2-3,6,11H2,1H3,(H2,18,20)(H,19,21)
InChIKeyZAPGZIJFDYPKPX-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.12
Rot. Bonds8

About [(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate

[(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate (PubChem CID 174926939) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is [(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate.

Molecular Properties

Compound Name[(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate
PubChem CID174926939
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name[(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate
SMILESCCCCCS(=O)(=O)ONC(=O)c1c(C(N)=O)ccc2ccccc12
InChIInChI=1S/C17H20N2O5S/c1-2-3-6-11-25(22,23)24-19-17(21)15-13-8-5-4-7-12(13)9-10-14(15)16(18)20/h4-5,7-10H,2-3,6,11H2,1H3,(H2,18,20)(H,19,21)
InChIKeyZAPGZIJFDYPKPX-UHFFFAOYSA-N
XLogP2.12
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-yl pentane-1-sulfonate;neodymium
CID 174595330
naphthalen-1-yl pentadecane-1-sulfonate
CID 87678108
2-pentylnaphthalene-1-carboxamide
CID 154106171
benzamido propane-1-sulfonate
CID 141165676
propyl 1-carbamoylnaphthalene-2-sulfonate
CID 174480767
tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate
CID 163647049
calcium;hydride;naphthalen-1-yl dodecane-1-sulfonate
CID 174591731
[(2-methylbenzo[e][1]benzofuran-1-yl)amino] octane-1-sulfonate
CID 123835156
1-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 101266046
naphthalene-1,2-dicarboxamide;tetrazine
CID 175558272
1-(dodecanoylamino)naphthalene-2-carboxylic acid
CID 21470620
tetradecyl 1-hydroxynaphthalene-2-carboxylate
CID 141232785

Frequently Asked Questions

What is the IUPAC name of [(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate?
The IUPAC name of [(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate (CID 174926939) is [(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate.
What is the SMILES notation for [(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate?
The canonical SMILES for [(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate is CCCCCS(=O)(=O)ONC(=O)c1c(C(N)=O)ccc2ccccc12.
What is the InChIKey of [(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate?
The InChIKey is ZAPGZIJFDYPKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-2-3-6-11-25(22,23)24-19-17(21)15-13-8-5-4-7-12(13)9-10-14(15)16(18)20/h4-5,7-10H,2-3,6,11H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of [(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate?
[(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate has a molecular weight of 364.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-carbamoylnaphthalene-1-carbonyl)amino] pentane-1-sulfonate is sourced from PubChem (CID 174926939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).