N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide

C20H25NO4S — CID 46418348

IUPACN-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1C
InChIInChI=1S/C20H25NO4S/c1-16-14-19(10-11-20(16)25-13-12-24-2)26(22,23)21(18-8-9-18)15-17-6-4-3-5-7-17/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3
InChIKeyCUDHZVPSGUPFIY-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.37
Rot. Bonds9

About N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide

N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide (PubChem CID 46418348) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
PubChem CID46418348
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1C
InChIInChI=1S/C20H25NO4S/c1-16-14-19(10-11-20(16)25-13-12-24-2)26(22,23)21(18-8-9-18)15-17-6-4-3-5-7-17/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3
InChIKeyCUDHZVPSGUPFIY-UHFFFAOYSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 24663505
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide
CID 55639384
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 55639102
N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 71781441
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
N-benzyl-4-methoxy-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2224050
4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 55639172
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 39636565
methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 35403081
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide (CID 46418348) is N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide is COCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1C.
What is the InChIKey of N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The InChIKey is CUDHZVPSGUPFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-16-14-19(10-11-20(16)25-13-12-24-2)26(22,23)21(18-8-9-18)15-17-6-4-3-5-7-17/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3.
What are the key properties of N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide is sourced from PubChem (CID 46418348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).