N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C30H31N3O4S — CID 4060978

IUPACN-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)cccc12
InChIInChI=1S/C30H31N3O4S/c1-30(2,3)33-38(36,37)27-19-11-16-23-24(27)17-10-18-25(23)31-29(35)26(20-21-12-6-4-7-13-21)32-28(34)22-14-8-5-9-15-22/h4-19,26,33H,20H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyGIXYSOPAEGHVQN-UHFFFAOYSA-N
MW529.66 g/mol
LogP4.90
Rot. Bonds8

About N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 4060978) has the molecular formula C30H31N3O4S and a molecular weight of 529.66 g/mol. Its IUPAC name is N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID4060978
Molecular FormulaC30H31N3O4S
Molecular Weight529.66 g/mol
Exact Mass529.20
IUPAC NameN-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)cccc12
InChIInChI=1S/C30H31N3O4S/c1-30(2,3)33-38(36,37)27-19-11-16-23-24(27)17-10-18-25(23)31-29(35)26(20-21-12-6-4-7-13-21)32-28(34)22-14-8-5-9-15-22/h4-19,26,33H,20H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyGIXYSOPAEGHVQN-UHFFFAOYSA-N
XLogP4.90
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.66
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 4060978) is N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)cccc12.
What is the InChIKey of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is GIXYSOPAEGHVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4S/c1-30(2,3)33-38(36,37)27-19-11-16-23-24(27)17-10-18-25(23)31-29(35)26(20-21-12-6-4-7-13-21)32-28(34)22-14-8-5-9-15-22/h4-19,26,33H,20H2,1-3H3,(H,31,35)(H,32,34).
What are the key properties of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 529.66 g/mol, XLogP of 4.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 4060978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).