N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide

C26H38N2O3S — CID 15341055

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H38N2O3S/c1-16(2)20-11-9-12-21(17(3)4)25(20)27-24(29)15-32(30,31)28-26-22(18(5)6)13-10-14-23(26)19(7)8/h9-14,16-19,28H,15H2,1-8H3,(H,27,29)
InChIKeyWONJRPPMDVDSKK-UHFFFAOYSA-N
MW458.67 g/mol
LogP6.56
Rot. Bonds9

About N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide (PubChem CID 15341055) has the molecular formula C26H38N2O3S and a molecular weight of 458.67 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide
PubChem CID15341055
Molecular FormulaC26H38N2O3S
Molecular Weight458.67 g/mol
Exact Mass458.26
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H38N2O3S/c1-16(2)20-11-9-12-21(17(3)4)25(20)27-24(29)15-32(30,31)28-26-22(18(5)6)13-10-14-23(26)19(7)8/h9-14,16-19,28H,15H2,1-8H3,(H,27,29)
InChIKeyWONJRPPMDVDSKK-UHFFFAOYSA-N
XLogP6.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.67
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide with MolForge

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Related Compounds

2-[(2-Ethyl-6-methylphenyl)amino]-2-oxoethanesulfonic acid
CID 71312480
Dimethachlor CGA369873
CID 139292176
N-(2,6-dimethylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892323
N,N'-Diacetyl-3,3'-dimethylbenzidine
CID 626583
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 848402
N-[4-(aminosulfonyl)-2,6-diethylphenyl]acetamide
CID 2726107
Ethanesulfonic acid (5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-amide
CID 627403
N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
CID 1015803
2-(2,6-Diisopropyl-phenylsulfamoyl)-N-dodecyl-acetamide
CID 15341056
N-Benzyl-2-(2,6-diisopropyl-phenylsulfamoyl)-N-isopropyl-acetamide
CID 15341057
HL-004
CID 6426883
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide (CID 15341055) is N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide?
The InChIKey is WONJRPPMDVDSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3S/c1-16(2)20-11-9-12-21(17(3)4)25(20)27-24(29)15-32(30,31)28-26-22(18(5)6)13-10-14-23(26)19(7)8/h9-14,16-19,28H,15H2,1-8H3,(H,27,29).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide has a molecular weight of 458.67 g/mol, XLogP of 6.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetamide is sourced from PubChem (CID 15341055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).