ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate

C26H34N4O7S — CID 46372224

IUPACethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccc(OC)cc3)c2)CC1
InChIInChI=1S/C26H34N4O7S/c1-3-37-26(32)30-12-10-20(11-13-30)27-25(31)19-4-9-24(29-14-16-36-17-15-29)23(18-19)28-38(33,34)22-7-5-21(35-2)6-8-22/h4-9,18,20,28H,3,10-17H2,1-2H3,(H,27,31)
InChIKeyYUVDSDALGPRDGH-UHFFFAOYSA-N
MW546.65 g/mol
LogP2.68
Rot. Bonds8

About ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate (PubChem CID 46372224) has the molecular formula C26H34N4O7S and a molecular weight of 546.65 g/mol. Its IUPAC name is ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate
PubChem CID46372224
Molecular FormulaC26H34N4O7S
Molecular Weight546.65 g/mol
Exact Mass546.21
IUPAC Nameethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccc(OC)cc3)c2)CC1
InChIInChI=1S/C26H34N4O7S/c1-3-37-26(32)30-12-10-20(11-13-30)27-25(31)19-4-9-24(29-14-16-36-17-15-29)23(18-19)28-38(33,34)22-7-5-21(35-2)6-8-22/h4-9,18,20,28H,3,10-17H2,1-2H3,(H,27,31)
InChIKeyYUVDSDALGPRDGH-UHFFFAOYSA-N
XLogP2.68
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.65
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767046
4-(4-ethylpiperazin-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 46291791
N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
CID 20968018
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059449
4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 46291817
N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333755
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
ethyl 4-[[2-(morpholine-4-carbonyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109082996
ethyl 4-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 109252241
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate (CID 46372224) is ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccc(OC)cc3)c2)CC1.
What is the InChIKey of ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate?
The InChIKey is YUVDSDALGPRDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O7S/c1-3-37-26(32)30-12-10-20(11-13-30)27-25(31)19-4-9-24(29-14-16-36-17-15-29)23(18-19)28-38(33,34)22-7-5-21(35-2)6-8-22/h4-9,18,20,28H,3,10-17H2,1-2H3,(H,27,31).
What are the key properties of ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate has a molecular weight of 546.65 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 46372224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).