N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide

C21H22N2O4S — CID 108573152

IUPACN-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O4S/c1-2-27-17-10-12-18(13-11-17)28(25,26)23-15-14-22-21(24)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,23H,2,14-15H2,1H3,(H,22,24)
InChIKeySGEPMQCLGUBMAI-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.95
Rot. Bonds8

About N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide

N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide (PubChem CID 108573152) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
PubChem CID108573152
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O4S/c1-2-27-17-10-12-18(13-11-17)28(25,26)23-15-14-22-21(24)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,23H,2,14-15H2,1H3,(H,22,24)
InChIKeySGEPMQCLGUBMAI-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide
CID 108573645
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108572022
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide (CID 108573152) is N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide is CCOc1ccc(S(=O)(=O)NCCNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide?
The InChIKey is SGEPMQCLGUBMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-2-27-17-10-12-18(13-11-17)28(25,26)23-15-14-22-21(24)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,23H,2,14-15H2,1H3,(H,22,24).
What are the key properties of N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide?
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 108573152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).