2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide

C23H38N2O3S — CID 10251689

IUPAC2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H38N2O3S/c1-7-24(8-2)22(26)17-25(20-13-9-18(3)10-14-20)29(27,28)21-15-11-19(12-16-21)23(4,5)6/h11-12,15-16,18,20H,7-10,13-14,17H2,1-6H3
InChIKeyOLCCRNXYLCLCAB-UHFFFAOYSA-N
MW422.64 g/mol
LogP4.42
Rot. Bonds7

About 2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide

2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide (PubChem CID 10251689) has the molecular formula C23H38N2O3S and a molecular weight of 422.64 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide
PubChem CID10251689
Molecular FormulaC23H38N2O3S
Molecular Weight422.64 g/mol
Exact Mass422.26
IUPAC Name2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H38N2O3S/c1-7-24(8-2)22(26)17-25(20-13-9-18(3)10-14-20)29(27,28)21-15-11-19(12-16-21)23(4,5)6/h11-12,15-16,18,20H,7-10,13-14,17H2,1-6H3
InChIKeyOLCCRNXYLCLCAB-UHFFFAOYSA-N
XLogP4.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.64
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide (CID 10251689) is 2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide?
The InChIKey is OLCCRNXYLCLCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3S/c1-7-24(8-2)22(26)17-25(20-13-9-18(3)10-14-20)29(27,28)21-15-11-19(12-16-21)23(4,5)6/h11-12,15-16,18,20H,7-10,13-14,17H2,1-6H3.
What are the key properties of 2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide?
2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide has a molecular weight of 422.64 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 10251689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).