5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide

C31H41N3O4S — CID 118186079

IUPAC5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2oc(C(=O)NC3CCCCC3)nc2CC2CCCCC2)c2ccccc12
InChIInChI=1S/C31H41N3O4S/c1-31(2,3)34-39(36,37)27-19-18-25(23-16-10-11-17-24(23)27)28-26(20-21-12-6-4-7-13-21)33-30(38-28)29(35)32-22-14-8-5-9-15-22/h10-11,16-19,21-22,34H,4-9,12-15,20H2,1-3H3,(H,32,35)
InChIKeyWSTLYBMSAWQNFS-UHFFFAOYSA-N
MW551.75 g/mol
LogP6.76
Rot. Bonds7

About 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide

5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide (PubChem CID 118186079) has the molecular formula C31H41N3O4S and a molecular weight of 551.75 g/mol. Its IUPAC name is 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide
PubChem CID118186079
Molecular FormulaC31H41N3O4S
Molecular Weight551.75 g/mol
Exact Mass551.28
IUPAC Name5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2oc(C(=O)NC3CCCCC3)nc2CC2CCCCC2)c2ccccc12
InChIInChI=1S/C31H41N3O4S/c1-31(2,3)34-39(36,37)27-19-18-25(23-16-10-11-17-24(23)27)28-26(20-21-12-6-4-7-13-21)33-30(38-28)29(35)32-22-14-8-5-9-15-22/h10-11,16-19,21-22,34H,4-9,12-15,20H2,1-3H3,(H,32,35)
InChIKeyWSTLYBMSAWQNFS-UHFFFAOYSA-N
XLogP6.76
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.75
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-oxazole-2-carboxamide
CID 72551200
5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide
CID 118185806
4-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-5-(cyclohexylmethyl)-N-(1,1-dioxothian-4-yl)-1-methylpyrrole-2-carboxamide
CID 118544825
5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-(2-cyano-2-methylpropyl)-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide
CID 72549189
5-[4-[(tert-butylamino)-methylidene-oxo-λ6-sulfanyl]-2,3-dichlorophenyl]-4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-oxazole-2-carboxamide;3-[[5-[4-[(tert-butylamino)-methylidene-oxo-λ6-sulfanyl]-2,3-dichlorophenyl]-4-(cyclohexylmethyl)-1,3-oxazole-2-carbonyl]amino]cyclobutane-1-carboxylic acid;4-[[5-[4-[(tert-butylamino)-methylidene-oxo-λ6-sulfanyl]naphthalen-1-yl]-4-(cyclohexylmethyl)-1,3-oxazole-2-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;3-[[5-[4-[(tert-butylamino)-methylidene-oxo-λ6-sulfanyl]naphthalen-1-yl]-4-(cyclohexylmethyl)-1,3-oxazole-2-carbonyl]amino]cyclobutane-1-carboxylic acid;3-[[5-[3-tert-butyl-5-(1-methylcyclopropyl)phenyl]-4-(cyclohexylmethyl)-1,3-oxazole-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 158345366
methyl 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(cyclohexylmethyl)thiophene-2-carboxylate
CID 118160592
3-[[1-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-5-(cyclohexylmethyl)-1,2,4-triazole-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 118544987
N-tert-butyl-4-[4-(cyclohexylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-thiazol-5-yl]naphthalene-1-sulfonamide
CID 118188708
5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide
CID 118186114
1-[5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 118185706
5-[4-(tert-butylsulfamoyl)-2-methylphenyl]-N-cyclobutyl-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide;carbon dioxide
CID 161368432
3-[[5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-cyclohexyl-1,3-thiazole-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 118186116

Frequently Asked Questions

What is the IUPAC name of 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide (CID 118186079) is 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2oc(C(=O)NC3CCCCC3)nc2CC2CCCCC2)c2ccccc12.
What is the InChIKey of 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide?
The InChIKey is WSTLYBMSAWQNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O4S/c1-31(2,3)34-39(36,37)27-19-18-25(23-16-10-11-17-24(23)27)28-26(20-21-12-6-4-7-13-21)33-30(38-28)29(35)32-22-14-8-5-9-15-22/h10-11,16-19,21-22,34H,4-9,12-15,20H2,1-3H3,(H,32,35).
What are the key properties of 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide?
5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide has a molecular weight of 551.75 g/mol, XLogP of 6.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 118186079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).