4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide

C23H30N2O4S — CID 2959200

IUPAC4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H30N2O4S/c1-23(2,3)19-10-12-21(13-11-19)30(27,28)25-15-17-6-8-18(9-7-17)22(26)24-16-20-5-4-14-29-20/h6-13,20,25H,4-5,14-16H2,1-3H3,(H,24,26)
InChIKeyUQNYKRMDNPPLOR-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.37
Rot. Bonds7

About 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2959200) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2959200
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H30N2O4S/c1-23(2,3)19-10-12-21(13-11-19)30(27,28)25-15-17-6-8-18(9-7-17)22(26)24-16-20-5-4-14-29-20/h6-13,20,25H,4-5,14-16H2,1-3H3,(H,24,26)
InChIKeyUQNYKRMDNPPLOR-UHFFFAOYSA-N
XLogP3.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 2959200) is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide is CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is UQNYKRMDNPPLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-23(2,3)19-10-12-21(13-11-19)30(27,28)25-15-17-6-8-18(9-7-17)22(26)24-16-20-5-4-14-29-20/h6-13,20,25H,4-5,14-16H2,1-3H3,(H,24,26).
What are the key properties of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 430.57 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2959200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).