2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide

C19H30N2O5S — CID 113153086

IUPAC2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)CN(C2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H30N2O5S/c1-25-17-9-11-18(12-10-17)26-14-13-20-19(22)15-21(27(2,23)24)16-7-5-3-4-6-8-16/h9-12,16H,3-8,13-15H2,1-2H3,(H,20,22)
InChIKeySCCBQSTVGULAJQ-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.17
Rot. Bonds9

About 2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide

2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 113153086) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID113153086
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Name2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)CN(C2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H30N2O5S/c1-25-17-9-11-18(12-10-17)26-14-13-20-19(22)15-21(27(2,23)24)16-7-5-3-4-6-8-16/h9-12,16H,3-8,13-15H2,1-2H3,(H,20,22)
InChIKeySCCBQSTVGULAJQ-UHFFFAOYSA-N
XLogP2.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopentyl(methylsulfonyl)amino]-N-(2-methoxyethyl)acetamide
CID 113148836
2-[cyclohexyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28546228
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide
CID 112994880
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
2-[cycloheptyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113153055
2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide
CID 2986754
N-cycloheptyl-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113148899
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 113153086) is 2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(OCCNC(=O)CN(C2CCCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is SCCBQSTVGULAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-25-17-9-11-18(12-10-17)26-14-13-20-19(22)15-21(27(2,23)24)16-7-5-3-4-6-8-16/h9-12,16H,3-8,13-15H2,1-2H3,(H,20,22).
What are the key properties of 2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-[cycloheptyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 2.17, 9 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-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 113153086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).