N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide

C22H29NO6S — CID 35404554

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2cc(OC)ccc2OC)C2CC2)cc1OCC
InChIInChI=1S/C22H29NO6S/c1-5-28-21-12-10-19(14-22(21)29-6-2)30(24,25)23(17-7-8-17)15-16-13-18(26-3)9-11-20(16)27-4/h9-14,17H,5-8,15H2,1-4H3
InChIKeyLATOWSVWUOZLTQ-UHFFFAOYSA-N
MW435.54 g/mol
LogP3.85
Rot. Bonds11

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide (PubChem CID 35404554) has the molecular formula C22H29NO6S and a molecular weight of 435.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide
PubChem CID35404554
Molecular FormulaC22H29NO6S
Molecular Weight435.54 g/mol
Exact Mass435.17
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2cc(OC)ccc2OC)C2CC2)cc1OCC
InChIInChI=1S/C22H29NO6S/c1-5-28-21-12-10-19(14-22(21)29-6-2)30(24,25)23(17-7-8-17)15-16-13-18(26-3)9-11-20(16)27-4/h9-14,17H,5-8,15H2,1-4H3
InChIKeyLATOWSVWUOZLTQ-UHFFFAOYSA-N
XLogP3.85
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 35404500
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 39636565
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
N-cyclopropyl-N-ethyl-4-methoxy-3-nitrobenzenesulfonamide
CID 24679110
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 66181481
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 24663505
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide
CID 55578389
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46545952

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide (CID 35404554) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(Cc2cc(OC)ccc2OC)C2CC2)cc1OCC.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide?
The InChIKey is LATOWSVWUOZLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO6S/c1-5-28-21-12-10-19(14-22(21)29-6-2)30(24,25)23(17-7-8-17)15-16-13-18(26-3)9-11-20(16)27-4/h9-14,17H,5-8,15H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide has a molecular weight of 435.54 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 35404554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).