N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide

C30H27N3O4S — CID 10029811

IUPACN-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(NC(=O)CC(c4ccccc4)c4ccccc4)cccc23)c1C
InChIInChI=1S/C30H27N3O4S/c1-20-21(2)32-37-30(20)33-38(35,36)28-18-10-15-24-25(28)16-9-17-27(24)31-29(34)19-26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-18,26,33H,19H2,1-2H3,(H,31,34)
InChIKeyNRFGGDYWRISCMW-UHFFFAOYSA-N
MW525.63 g/mol
LogP6.41
Rot. Bonds8

About N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide

N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide (PubChem CID 10029811) has the molecular formula C30H27N3O4S and a molecular weight of 525.63 g/mol. Its IUPAC name is N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide
PubChem CID10029811
Molecular FormulaC30H27N3O4S
Molecular Weight525.63 g/mol
Exact Mass525.17
IUPAC NameN-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(NC(=O)CC(c4ccccc4)c4ccccc4)cccc23)c1C
InChIInChI=1S/C30H27N3O4S/c1-20-21(2)32-37-30(20)33-38(35,36)28-18-10-15-24-25(28)16-9-17-27(24)31-29(34)19-26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-18,26,33H,19H2,1-2H3,(H,31,34)
InChIKeyNRFGGDYWRISCMW-UHFFFAOYSA-N
XLogP6.41
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide (CID 10029811) is N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide is Cc1noc(NS(=O)(=O)c2cccc3c(NC(=O)CC(c4ccccc4)c4ccccc4)cccc23)c1C.
What is the InChIKey of N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide?
The InChIKey is NRFGGDYWRISCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4S/c1-20-21(2)32-37-30(20)33-38(35,36)28-18-10-15-24-25(28)16-9-17-27(24)31-29(34)19-26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-18,26,33H,19H2,1-2H3,(H,31,34).
What are the key properties of N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide?
N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide has a molecular weight of 525.63 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 10029811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).