2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

C23H31N3O3S — CID 646161

IUPAC2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2cccnc2)C2CCCCC2)c(C)c1
InChIInChI=1S/C23H31N3O3S/c1-17-12-18(2)23(19(3)13-17)30(28,29)26(21-9-5-4-6-10-21)16-22(27)25-15-20-8-7-11-24-14-20/h7-8,11-14,21H,4-6,9-10,15-16H2,1-3H3,(H,25,27)
InChIKeyWVVDBXVFBSGXAG-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.65
Rot. Bonds7

About 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 646161) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID646161
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2cccnc2)C2CCCCC2)c(C)c1
InChIInChI=1S/C23H31N3O3S/c1-17-12-18(2)23(19(3)13-17)30(28,29)26(21-9-5-4-6-10-21)16-22(27)25-15-20-8-7-11-24-14-20/h7-8,11-14,21H,4-6,9-10,15-16H2,1-3H3,(H,25,27)
InChIKeyWVVDBXVFBSGXAG-UHFFFAOYSA-N
XLogP3.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfonamidopyrrolidinone 3e
CID 10671210
Sulfonamidopyrrolidinone 3f
CID 10765919
2,4,6-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 676052
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
4-(4-{[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]sulfamoyl}phenyl)-1-methylpyridin-1-ium
CID 10555769
4-(4-{[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]sulfamoyl}phenyl)-1-oxidopyridin-1-ium
CID 10576138
Sulfonamidopyrrolidinone 3d
CID 10742143
Sulfonamide deriv., 7i
CID 44520905
AS604872
CID 10152528
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 646161) is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2cccnc2)C2CCCCC2)c(C)c1.
What is the InChIKey of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WVVDBXVFBSGXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-17-12-18(2)23(19(3)13-17)30(28,29)26(21-9-5-4-6-10-21)16-22(27)25-15-20-8-7-11-24-14-20/h7-8,11-14,21H,4-6,9-10,15-16H2,1-3H3,(H,25,27).
What are the key properties of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 646161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).