2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide

C16H24N2O3S — CID 113148921

IUPAC2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C2CCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C16H24N2O3S/c1-12-8-9-14(10-13(12)2)17-16(19)11-18(22(3,20)21)15-6-4-5-7-15/h8-10,15H,4-7,11H2,1-3H3,(H,17,19)
InChIKeyXVRFOUVFEVWPDB-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.45
Rot. Bonds5

About 2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide

2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 113148921) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID113148921
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C2CCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C16H24N2O3S/c1-12-8-9-14(10-13(12)2)17-16(19)11-18(22(3,20)21)15-6-4-5-7-15/h8-10,15H,4-7,11H2,1-3H3,(H,17,19)
InChIKeyXVRFOUVFEVWPDB-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 126010723
methyl 4-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148971
2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113148963
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113148011

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide (CID 113148921) is 2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(C2CCCC2)S(C)(=O)=O)cc1C.
What is the InChIKey of 2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is XVRFOUVFEVWPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-8-9-14(10-13(12)2)17-16(19)11-18(22(3,20)21)15-6-4-5-7-15/h8-10,15H,4-7,11H2,1-3H3,(H,17,19).
What are the key properties of 2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide?
2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 324.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113148921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).