ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate

C18H21NO4S — CID 134061973

IUPACethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H21NO4S/c1-2-23-18(20)13-8-14-19-24(21,22)17-12-7-6-11-16(17)15-9-4-3-5-10-15/h3-7,9-12,19H,2,8,13-14H2,1H3
InChIKeyCDWUPNWBEGXGHT-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.98
Rot. Bonds8

About ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate

ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate (PubChem CID 134061973) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate
PubChem CID134061973
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Nameethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H21NO4S/c1-2-23-18(20)13-8-14-19-24(21,22)17-12-7-6-11-16(17)15-9-4-3-5-10-15/h3-7,9-12,19H,2,8,13-14H2,1H3
InChIKeyCDWUPNWBEGXGHT-UHFFFAOYSA-N
XLogP2.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
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-hydroxyethyl)-2-phenylbenzenesulfonamide
CID 154485495
3-[(4-ethoxy-4-oxobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709040
ethyl 4-(2-phenylphenyl)butanoate
CID 67832505
ethyl 4-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanoate
CID 60716385
6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64577123
ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate
CID 3344423
ethyl 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanoate
CID 79901838
ethyl 4-[(3-methoxyphenyl)sulfonylamino]butanoate
CID 81259857
ethyl 4-[(4-carbamothioylphenyl)sulfonylamino]butanoate
CID 64576394
ethyl 4-[(4-butoxyphenyl)sulfonylamino]butanoate
CID 3867578
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
ethyl 4-[(5-carbamothioylthiophen-2-yl)sulfonylamino]butanoate
CID 106271350

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate?
The IUPAC name of ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate (CID 134061973) is ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate.
What is the SMILES notation for ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate?
The canonical SMILES for ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate is CCOC(=O)CCCNS(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate?
The InChIKey is CDWUPNWBEGXGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-2-23-18(20)13-8-14-19-24(21,22)17-12-7-6-11-16(17)15-9-4-3-5-10-15/h3-7,9-12,19H,2,8,13-14H2,1H3.
What are the key properties of ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate?
ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate has a molecular weight of 347.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate is sourced from PubChem (CID 134061973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).