N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide

C28H32N4O6S — CID 134085239

IUPACN-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc4ccccc34)C(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C28H32N4O6S/c1-2-38-23-12-10-22(11-13-23)29-28(34)31-14-15-32(25(20-31)27(33)30-16-18-37-19-17-30)39(35,36)26-9-5-7-21-6-3-4-8-24(21)26/h3-13,25H,2,14-20H2,1H3,(H,29,34)
InChIKeyRNAGVTGWBYDKPO-UHFFFAOYSA-N
MW552.65 g/mol
LogP3.00
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide

N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide (PubChem CID 134085239) has the molecular formula C28H32N4O6S and a molecular weight of 552.65 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide
PubChem CID134085239
Molecular FormulaC28H32N4O6S
Molecular Weight552.65 g/mol
Exact Mass552.20
IUPAC NameN-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc4ccccc34)C(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C28H32N4O6S/c1-2-38-23-12-10-22(11-13-23)29-28(34)31-14-15-32(25(20-31)27(33)30-16-18-37-19-17-30)39(35,36)26-9-5-7-21-6-3-4-8-24(21)26/h3-13,25H,2,14-20H2,1H3,(H,29,34)
InChIKeyRNAGVTGWBYDKPO-UHFFFAOYSA-N
XLogP3.00
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.65
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-3-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 134085242
4-(4-cyanophenyl)sulfonyl-N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085078
4-(5-chlorothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085076
3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide
CID 10347402
methyl 4-[[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carbonyl]amino]benzoate
CID 134085130
3-(4-benzylpiperidine-1-carbonyl)-N-(4-methylphenyl)-4-quinolin-8-ylsulfonylpiperazine-1-carboxamide
CID 134085056
4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 3226999
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360297
[(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110876197

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide (CID 134085239) is N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc4ccccc34)C(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is RNAGVTGWBYDKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O6S/c1-2-38-23-12-10-22(11-13-23)29-28(34)31-14-15-32(25(20-31)27(33)30-16-18-37-19-17-30)39(35,36)26-9-5-7-21-6-3-4-8-24(21)26/h3-13,25H,2,14-20H2,1H3,(H,29,34).
What are the key properties of N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide?
N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 552.65 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 134085239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).