N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide

C23H30N2O4S — CID 2959093

IUPACN-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)NCC3CCCO3)cc2)c1C
InChIInChI=1S/C23H30N2O4S/c1-15-12-16(2)18(4)22(17(15)3)30(27,28)25-13-19-7-9-20(10-8-19)23(26)24-14-21-6-5-11-29-21/h7-10,12,21,25H,5-6,11,13-14H2,1-4H3,(H,24,26)
InChIKeyCZUUFMRWUFVESW-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.31
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide

N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide (PubChem CID 2959093) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide
PubChem CID2959093
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)NCC3CCCO3)cc2)c1C
InChIInChI=1S/C23H30N2O4S/c1-15-12-16(2)18(4)22(17(15)3)30(27,28)25-13-19-7-9-20(10-8-19)23(26)24-14-21-6-5-11-29-21/h7-10,12,21,25H,5-6,11,13-14H2,1-4H3,(H,24,26)
InChIKeyCZUUFMRWUFVESW-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 1284754
3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51180585
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate
CID 4157565
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
4-chloro-N-[(4-methylphenyl)methyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9473645
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide (CID 2959093) is N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)NCC3CCCO3)cc2)c1C.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is CZUUFMRWUFVESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-15-12-16(2)18(4)22(17(15)3)30(27,28)25-13-19-7-9-20(10-8-19)23(26)24-14-21-6-5-11-29-21/h7-10,12,21,25H,5-6,11,13-14H2,1-4H3,(H,24,26).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide?
N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 2959093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).