N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide

C23H24N2O4S — CID 26189255

IUPACN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C23H24N2O4S/c1-2-29-21-12-11-20(16-22(21)30(27,28)25-13-5-6-14-25)24-23(26)19-10-9-17-7-3-4-8-18(17)15-19/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,24,26)
InChIKeyIGTCDIWWCMMYPB-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.28
Rot. Bonds6

About N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide (PubChem CID 26189255) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
PubChem CID26189255
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C23H24N2O4S/c1-2-29-21-12-11-20(16-22(21)30(27,28)25-13-5-6-14-25)24-23(26)19-10-9-17-7-3-4-8-18(17)15-19/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,24,26)
InChIKeyIGTCDIWWCMMYPB-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 9390241
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-(methoxymethyl)benzamide
CID 8624161
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 32696205
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenylmethoxypyridine-4-carboxamide
CID 55996590
4-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 25445526

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide (CID 26189255) is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide is CCOc1ccc(NC(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide?
The InChIKey is IGTCDIWWCMMYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-2-29-21-12-11-20(16-22(21)30(27,28)25-13-5-6-14-25)24-23(26)19-10-9-17-7-3-4-8-18(17)15-19/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,24,26).
What are the key properties of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide?
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 26189255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).