4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide

C21H28N2O5S — CID 55598879

IUPAC4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O5S/c1-26-15-16-28-19-7-9-20(10-8-19)29(24,25)22-17-21(18-5-3-2-4-6-18)23-11-13-27-14-12-23/h2-10,21-22H,11-17H2,1H3
InChIKeyAMNSMODAPPYYCU-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.06
Rot. Bonds10

About 4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide

4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide (PubChem CID 55598879) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
PubChem CID55598879
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O5S/c1-26-15-16-28-19-7-9-20(10-8-19)29(24,25)22-17-21(18-5-3-2-4-6-18)23-11-13-27-14-12-23/h2-10,21-22H,11-17H2,1H3
InChIKeyAMNSMODAPPYYCU-UHFFFAOYSA-N
XLogP2.06
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55352588
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
CID 47023208
4-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 134017270
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 92669835
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598948
N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 33054641
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide (CID 55598879) is 4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The InChIKey is AMNSMODAPPYYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-26-15-16-28-19-7-9-20(10-8-19)29(24,25)22-17-21(18-5-3-2-4-6-18)23-11-13-27-14-12-23/h2-10,21-22H,11-17H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 55598879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).