N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide

C31H33N3O4S — CID 142474804

IUPACN-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)cc1
InChIInChI=1S/C31H33N3O4S/c1-21-16-18-23(19-17-21)29(35)33-27(20-22-10-6-5-7-11-22)30(36)32-26-14-8-13-25-24(26)12-9-15-28(25)39(37,38)34-31(2,3)4/h5-19,27,34H,20H2,1-4H3,(H,32,36)(H,33,35)
InChIKeyXWZAUHLILQHSMS-UHFFFAOYSA-N
MW543.69 g/mol
LogP5.20
Rot. Bonds8

About N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide

N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide (PubChem CID 142474804) has the molecular formula C31H33N3O4S and a molecular weight of 543.69 g/mol. Its IUPAC name is N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
PubChem CID142474804
Molecular FormulaC31H33N3O4S
Molecular Weight543.69 g/mol
Exact Mass543.22
IUPAC NameN-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)cc1
InChIInChI=1S/C31H33N3O4S/c1-21-16-18-23(19-17-21)29(35)33-27(20-22-10-6-5-7-11-22)30(36)32-26-14-8-13-25-24(26)12-9-15-28(25)39(37,38)34-31(2,3)4/h5-19,27,34H,20H2,1-4H3,(H,32,36)(H,33,35)
InChIKeyXWZAUHLILQHSMS-UHFFFAOYSA-N
XLogP5.20
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.69
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide
CID 146503438
N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide
CID 27209357
N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide
CID 165122303
N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;molecular hydrogen
CID 165122029
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide
CID 146147261
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 142474792
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 146544712
benzyl N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 3440352
N-[(2S)-1-[[5-(2,2-dimethylpropylsulfonyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 161378149
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
(2S)-2-[[(2S)-2-[(4-methylbenzoyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 54392610
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
CID 71874763

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide (CID 142474804) is N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC(Cc2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)cc1.
What is the InChIKey of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide?
The InChIKey is XWZAUHLILQHSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O4S/c1-21-16-18-23(19-17-21)29(35)33-27(20-22-10-6-5-7-11-22)30(36)32-26-14-8-13-25-24(26)12-9-15-28(25)39(37,38)34-31(2,3)4/h5-19,27,34H,20H2,1-4H3,(H,32,36)(H,33,35).
What are the key properties of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide?
N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide has a molecular weight of 543.69 g/mol, XLogP of 5.20, 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]-4-methylbenzamide is sourced from PubChem (CID 142474804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).