2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide

C18H28N2O5S — CID 113153145

IUPAC2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C2CCCCCC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H28N2O5S/c1-24-16-11-10-14(12-17(16)25-2)19-18(21)13-20(26(3,22)23)15-8-6-4-5-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,19,21)
InChIKeyOYCMIOZKMKJOFP-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.63
Rot. Bonds7

About 2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide

2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113153145) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID113153145
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C2CCCCCC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H28N2O5S/c1-24-16-11-10-14(12-17(16)25-2)19-18(21)13-20(26(3,22)23)15-8-6-4-5-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,19,21)
InChIKeyOYCMIOZKMKJOFP-UHFFFAOYSA-N
XLogP2.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113148921
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 126010723
2-[acetyl(cyclopentyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113159345
2-[cyclohexyl(methylsulfonyl)amino]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 124551357
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
methyl 4-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148971
methyl 3-[[2-[cycloheptyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113153154
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 126010831

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide (CID 113153145) is 2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C2CCCCCC2)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is OYCMIOZKMKJOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-24-16-11-10-14(12-17(16)25-2)19-18(21)13-20(26(3,22)23)15-8-6-4-5-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 384.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113153145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).