N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide

C15H18N2O3S — CID 170551201

IUPACN-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
SMILESCCC(=O)NCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18N2O3S/c1-2-15(18)16-10-11-17-21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,2,10-11H2,1H3,(H,16,18)
InChIKeyUOGMUGYOIKCELE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide

N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide (PubChem CID 170551201) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
PubChem CID170551201
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
SMILESCCC(=O)NCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18N2O3S/c1-2-15(18)16-10-11-17-21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,2,10-11H2,1H3,(H,16,18)
InChIKeyUOGMUGYOIKCELE-UHFFFAOYSA-N
XLogP1.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(3-chloropentyl)naphthalene-1-sulfonamide
CID 114795706
tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate
CID 3667575
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
1-butyl-3-naphthalen-1-ylsulfonylurea
CID 125482961
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216

Frequently Asked Questions

What is the IUPAC name of N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide?
The IUPAC name of N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide (CID 170551201) is N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide.
What is the SMILES notation for N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide?
The canonical SMILES for N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide is CCC(=O)NCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide?
The InChIKey is UOGMUGYOIKCELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-15(18)16-10-11-17-21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,2,10-11H2,1H3,(H,16,18).
What are the key properties of N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide?
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide has a molecular weight of 306.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide is sourced from PubChem (CID 170551201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).