2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide

C16H24N2O3S2 — CID 1292057

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O3S2/c1-22-15-10-6-7-13(11-15)17-16(19)12-18(23(2,20)21)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyOTKRACXPRMNUOU-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.94
Rot. Bonds6

About 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 1292057) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID1292057
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O3S2/c1-22-15-10-6-7-13(11-15)17-16(19)12-18(23(2,20)21)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyOTKRACXPRMNUOU-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide (CID 1292057) is 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is OTKRACXPRMNUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-22-15-10-6-7-13(11-15)17-16(19)12-18(23(2,20)21)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,17,19).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 356.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1292057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).