N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide

C17H28ClNO4S — CID 10833476

IUPACN-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide
SMILESCCOC(CN(c1ccc(C(C)(C)C)c(Cl)c1)S(C)(=O)=O)OCC
InChIInChI=1S/C17H28ClNO4S/c1-7-22-16(23-8-2)12-19(24(6,20)21)13-9-10-14(15(18)11-13)17(3,4)5/h9-11,16H,7-8,12H2,1-6H3
InChIKeyFMNVKJHYOPPTOT-UHFFFAOYSA-N
MW377.93 g/mol
LogP3.80
Rot. Bonds8

About N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide

N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide (PubChem CID 10833476) has the molecular formula C17H28ClNO4S and a molecular weight of 377.93 g/mol. Its IUPAC name is N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide
PubChem CID10833476
Molecular FormulaC17H28ClNO4S
Molecular Weight377.93 g/mol
Exact Mass377.14
IUPAC NameN-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide
SMILESCCOC(CN(c1ccc(C(C)(C)C)c(Cl)c1)S(C)(=O)=O)OCC
InChIInChI=1S/C17H28ClNO4S/c1-7-22-16(23-8-2)12-19(24(6,20)21)13-9-10-14(15(18)11-13)17(3,4)5/h9-11,16H,7-8,12H2,1-6H3
InChIKeyFMNVKJHYOPPTOT-UHFFFAOYSA-N
XLogP3.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.93
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-(2,2-diethoxyethyl)methanesulfonamide
CID 10568486
N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(2,2-dimethoxyethyl)methanesulfonamide
CID 141021189
2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 113156868
ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
CID 2219448
N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide
CID 20524760
N-(8-cyano-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(2,2-dimethoxyethyl)methanesulfonamide
CID 15523871
N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide
CID 124927747
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
ethyl N-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]carbamate
CID 113070202
ethyl 4-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1148688
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide
CID 143994567

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide?
The IUPAC name of N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide (CID 10833476) is N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide.
What is the SMILES notation for N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide?
The canonical SMILES for N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide is CCOC(CN(c1ccc(C(C)(C)C)c(Cl)c1)S(C)(=O)=O)OCC.
What is the InChIKey of N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide?
The InChIKey is FMNVKJHYOPPTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO4S/c1-7-22-16(23-8-2)12-19(24(6,20)21)13-9-10-14(15(18)11-13)17(3,4)5/h9-11,16H,7-8,12H2,1-6H3.
What are the key properties of N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide?
N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide has a molecular weight of 377.93 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-3-chlorophenyl)-N-(2,2-diethoxyethyl)methanesulfonamide is sourced from PubChem (CID 10833476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).