6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide

C27H28N4O7S2 — CID 177442010

IUPAC6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(CC(C)=O)c(NS(=O)(=O)c3ccc(OCC)nc3)c3ccccc23)cn1
InChIInChI=1S/C27H28N4O7S2/c1-4-37-25-12-10-20(16-28-25)39(33,34)30-24-15-19(14-18(3)32)27(23-9-7-6-8-22(23)24)31-40(35,36)21-11-13-26(29-17-21)38-5-2/h6-13,15-17,30-31H,4-5,14H2,1-3H3
InChIKeyIZMLRUYZIQOXRF-UHFFFAOYSA-N
MW584.68 g/mol
LogP4.16
Rot. Bonds12

About 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide

6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide (PubChem CID 177442010) has the molecular formula C27H28N4O7S2 and a molecular weight of 584.68 g/mol. Its IUPAC name is 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide
PubChem CID177442010
Molecular FormulaC27H28N4O7S2
Molecular Weight584.68 g/mol
Exact Mass584.14
IUPAC Name6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(CC(C)=O)c(NS(=O)(=O)c3ccc(OCC)nc3)c3ccccc23)cn1
InChIInChI=1S/C27H28N4O7S2/c1-4-37-25-12-10-20(16-28-25)39(33,34)30-24-15-19(14-18(3)32)27(23-9-7-6-8-22(23)24)31-40(35,36)21-11-13-26(29-17-21)38-5-2/h6-13,15-17,30-31H,4-5,14H2,1-3H3
InChIKeyIZMLRUYZIQOXRF-UHFFFAOYSA-N
XLogP4.16
TPSA153.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.68
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

Analyze 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]benzenesulfonamide
CID 119057445
N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide
CID 177445891
6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599660
ethyl 2-[1,4-bis[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]-3-oxobutanoate
CID 2835145
2-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 134141598
ethyl (2S)-2-[1,4-bis[(4-chlorophenyl)sulfonylamino]naphthalen-2-yl]-3-oxobutanoate
CID 99667613
N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide
CID 167760272
6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide
CID 51088955
N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide
CID 167943030
5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 16761798
N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599468
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide (CID 177442010) is 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(CC(C)=O)c(NS(=O)(=O)c3ccc(OCC)nc3)c3ccccc23)cn1.
What is the InChIKey of 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide?
The InChIKey is IZMLRUYZIQOXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O7S2/c1-4-37-25-12-10-20(16-28-25)39(33,34)30-24-15-19(14-18(3)32)27(23-9-7-6-8-22(23)24)31-40(35,36)21-11-13-26(29-17-21)38-5-2/h6-13,15-17,30-31H,4-5,14H2,1-3H3.
What are the key properties of 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide?
6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide has a molecular weight of 584.68 g/mol, XLogP of 4.16, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 177442010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).