2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide

C17H26N2O3S — CID 848402

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-13-8-7-9-14(2)17(13)18-16(20)12-19(23(3,21)22)15-10-5-4-6-11-15/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)
InChIKeyBZNGDRPYZWGEGR-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.84
Rot. Bonds5

About 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 848402) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID848402
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-13-8-7-9-14(2)17(13)18-16(20)12-19(23(3,21)22)15-10-5-4-6-11-15/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)
InChIKeyBZNGDRPYZWGEGR-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lidocaine
CID 3676
Monoethylglycinexylidide
CID 24415
Tocainide
CID 38945
Levobupivacaine
CID 92253
Mepivacaine
CID 4062
Ropivacaine
CID 175805
Ropivacaine Hydrochloride
CID 175804
Lidocaine Hydrochloride
CID 6314
Bupivacaine Hydrochloride
CID 64737
Etidocaine
CID 37497
Tocainide Hydrochloride
CID 108173
2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride (1:1), (2S)-
CID 117965

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide (CID 848402) is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is BZNGDRPYZWGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-8-7-9-14(2)17(13)18-16(20)12-19(23(3,21)22)15-10-5-4-6-11-15/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 338.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 848402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).