2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide

C17H26N2O3S2 — CID 100712934

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide
SMILESCN(CC(=O)NCCSC1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26N2O3S2/c1-19(24(21,22)16-10-6-3-7-11-16)14-17(20)18-12-13-23-15-8-4-2-5-9-15/h3,6-7,10-11,15H,2,4-5,8-9,12-14H2,1H3,(H,18,20)
InChIKeyMQAVDNMJNCCEQJ-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.49
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide (PubChem CID 100712934) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide
PubChem CID100712934
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide
SMILESCN(CC(=O)NCCSC1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26N2O3S2/c1-19(24(21,22)16-10-6-3-7-11-16)14-17(20)18-12-13-23-15-8-4-2-5-9-15/h3,6-7,10-11,15H,2,4-5,8-9,12-14H2,1H3,(H,18,20)
InChIKeyMQAVDNMJNCCEQJ-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.49
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-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126029711
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
N-(2-cyclohexylsulfanylethyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 2928986
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30202134
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30200870
2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 95908806
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30252112
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30204081
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483045
N-(2-cyclohexylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 126032115

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide (CID 100712934) is 2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide is CN(CC(=O)NCCSC1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide?
The InChIKey is MQAVDNMJNCCEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-19(24(21,22)16-10-6-3-7-11-16)14-17(20)18-12-13-23-15-8-4-2-5-9-15/h3,6-7,10-11,15H,2,4-5,8-9,12-14H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide has a molecular weight of 370.54 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide is sourced from PubChem (CID 100712934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).