2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide

C20H20N2O4S — CID 91824604

IUPAC2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide
SMILESCCCOc1ccc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc2c1
InChIInChI=1S/C20H20N2O4S/c1-2-11-26-16-9-7-15-13-17(10-8-14(15)12-16)27(24,25)22-19-6-4-3-5-18(19)20(21)23/h3-10,12-13,22H,2,11H2,1H3,(H2,21,23)
InChIKeyMZGZTOKEWMHNCL-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.53
Rot. Bonds7

About 2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide

2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide (PubChem CID 91824604) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide
PubChem CID91824604
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide
SMILESCCCOc1ccc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc2c1
InChIInChI=1S/C20H20N2O4S/c1-2-11-26-16-9-7-15-13-17(10-8-14(15)12-16)27(24,25)22-19-6-4-3-5-18(19)20(21)23/h3-10,12-13,22H,2,11H2,1H3,(H2,21,23)
InChIKeyMZGZTOKEWMHNCL-UHFFFAOYSA-N
XLogP3.53
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-ethoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824630
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
CID 9055880
2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 46763886
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
methyl 2-[(4-hexadecoxyphenyl)sulfonylamino]benzoate
CID 15002142
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
CID 7573844
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 100525119
2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46101931

Frequently Asked Questions

What is the IUPAC name of 2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide?
The IUPAC name of 2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide (CID 91824604) is 2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide is CCCOc1ccc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc2c1.
What is the InChIKey of 2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide?
The InChIKey is MZGZTOKEWMHNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-2-11-26-16-9-7-15-13-17(10-8-14(15)12-16)27(24,25)22-19-6-4-3-5-18(19)20(21)23/h3-10,12-13,22H,2,11H2,1H3,(H2,21,23).
What are the key properties of 2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide?
2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide has a molecular weight of 384.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide is sourced from PubChem (CID 91824604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).