N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide

C19H32N2O7S — CID 20793594

IUPACN-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide
SMILESCCOCOCCCOCOc1ccc(NC(=O)C(C)(C)CC)cc1S(N)(=O)=O
InChIInChI=1S/C19H32N2O7S/c1-5-19(3,4)18(22)21-15-8-9-16(17(12-15)29(20,23)24)28-14-27-11-7-10-26-13-25-6-2/h8-9,12H,5-7,10-11,13-14H2,1-4H3,(H,21,22)(H2,20,23,24)
InChIKeyFPDGGSQCPOEILT-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.46
Rot. Bonds14

About N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide

N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide (PubChem CID 20793594) has the molecular formula C19H32N2O7S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide
PubChem CID20793594
Molecular FormulaC19H32N2O7S
Molecular Weight432.54 g/mol
Exact Mass432.19
IUPAC NameN-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide
SMILESCCOCOCCCOCOc1ccc(NC(=O)C(C)(C)CC)cc1S(N)(=O)=O
InChIInChI=1S/C19H32N2O7S/c1-5-19(3,4)18(22)21-15-8-9-16(17(12-15)29(20,23)24)28-14-27-11-7-10-26-13-25-6-2/h8-9,12H,5-7,10-11,13-14H2,1-4H3,(H,21,22)(H2,20,23,24)
InChIKeyFPDGGSQCPOEILT-UHFFFAOYSA-N
XLogP2.46
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677873
2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
CID 62677678
N-(4-ethoxy-3-sulfamoylphenyl)propanamide
CID 43134014
N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide
CID 61381356
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
tert-butyl N-[4-(ethoxymethoxy)-3-formylphenyl]carbamate
CID 12067432
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 47245842
N-[4-(dihydroxymethyl)-3-(propan-2-yloxymethoxy)phenyl]-2,2-dimethylbutanamide
CID 91169245
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide (CID 20793594) is N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide is CCOCOCCCOCOc1ccc(NC(=O)C(C)(C)CC)cc1S(N)(=O)=O.
What is the InChIKey of N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide?
The InChIKey is FPDGGSQCPOEILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O7S/c1-5-19(3,4)18(22)21-15-8-9-16(17(12-15)29(20,23)24)28-14-27-11-7-10-26-13-25-6-2/h8-9,12H,5-7,10-11,13-14H2,1-4H3,(H,21,22)(H2,20,23,24).
What are the key properties of N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide?
N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide has a molecular weight of 432.54 g/mol, XLogP of 2.46, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 20793594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).