N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide

C19H26N2O4S — CID 60609661

IUPACN-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(CCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H26N2O4S/c1-20(2)13-14-21(17-7-5-4-6-8-17)26(22,23)19-11-9-18(10-12-19)25-16-15-24-3/h4-12H,13-16H2,1-3H3
InChIKeyFHICFUQQLJFZLW-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.47
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide (PubChem CID 60609661) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide
PubChem CID60609661
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(CCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H26N2O4S/c1-20(2)13-14-21(17-7-5-4-6-8-17)26(22,23)19-11-9-18(10-12-19)25-16-15-24-3/h4-12H,13-16H2,1-3H3
InChIKeyFHICFUQQLJFZLW-UHFFFAOYSA-N
XLogP2.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4793747
N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 60604204
N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 61233827
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903412
methyl 2-[N-(benzenesulfonyl)-4-propoxyanilino]acetate
CID 50894913
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 94818649
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
4-(2-methoxyethoxy)benzenesulfonyl fluoride
CID 98661024
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide (CID 60609661) is N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide is COCCOc1ccc(S(=O)(=O)N(CCN(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide?
The InChIKey is FHICFUQQLJFZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-20(2)13-14-21(17-7-5-4-6-8-17)26(22,23)19-11-9-18(10-12-19)25-16-15-24-3/h4-12H,13-16H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 2.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 60609661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).