N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide

C15H23ClN2O3S2 — CID 2290460

IUPACN-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
SMILESCC(C)(C)SCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S2/c1-15(2,3)22-10-9-17-14(19)11-18(23(4,20)21)13-8-6-5-7-12(13)16/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeyLCWSCIKNQWFOPA-UHFFFAOYSA-N
MW378.95 g/mol
LogP2.75
Rot. Bonds7

About N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide

N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide (PubChem CID 2290460) has the molecular formula C15H23ClN2O3S2 and a molecular weight of 378.95 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
PubChem CID2290460
Molecular FormulaC15H23ClN2O3S2
Molecular Weight378.95 g/mol
Exact Mass378.08
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
SMILESCC(C)(C)SCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S2/c1-15(2,3)22-10-9-17-14(19)11-18(23(4,20)21)13-8-6-5-7-12(13)16/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeyLCWSCIKNQWFOPA-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide
CID 2286940
N-(2-tert-butylsulfanylethyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2289798
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
N-tert-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 3130608
N-(2-tert-butylsulfanylethyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 3969796
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126033516
2-(2-chloro-N-methylsulfonylanilino)-N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30219561
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1362391
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 51342568
2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1310728

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide (CID 2290460) is N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide is CC(C)(C)SCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The InChIKey is LCWSCIKNQWFOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S2/c1-15(2,3)22-10-9-17-14(19)11-18(23(4,20)21)13-8-6-5-7-12(13)16/h5-8H,9-11H2,1-4H3,(H,17,19).
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide?
N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide has a molecular weight of 378.95 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2290460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).