N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide

C30H30ClN3O4S — CID 146503438

IUPACN-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)C(Cc3ccc(Cl)cc3)NC(=O)c3ccccc3)cccc12
InChIInChI=1S/C30H30ClN3O4S/c1-30(2,3)34-39(37,38)27-14-8-11-23-24(27)12-7-13-25(23)32-29(36)26(19-20-15-17-22(31)18-16-20)33-28(35)21-9-5-4-6-10-21/h4-18,26,34H,19H2,1-3H3,(H,32,36)(H,33,35)
InChIKeyOTWFJMXIXLAVCC-UHFFFAOYSA-N
MW564.11 g/mol
LogP5.55
Rot. Bonds8

About N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide

N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide (PubChem CID 146503438) has the molecular formula C30H30ClN3O4S and a molecular weight of 564.11 g/mol. Its IUPAC name is N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide
PubChem CID146503438
Molecular FormulaC30H30ClN3O4S
Molecular Weight564.11 g/mol
Exact Mass563.16
IUPAC NameN-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)C(Cc3ccc(Cl)cc3)NC(=O)c3ccccc3)cccc12
InChIInChI=1S/C30H30ClN3O4S/c1-30(2,3)34-39(37,38)27-14-8-11-23-24(27)12-7-13-25(23)32-29(36)26(19-20-15-17-22(31)18-16-20)33-28(35)21-9-5-4-6-10-21/h4-18,26,34H,19H2,1-3H3,(H,32,36)(H,33,35)
InChIKeyOTWFJMXIXLAVCC-UHFFFAOYSA-N
XLogP5.55
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.11
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
CID 142474804
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-[[5-(tert-butylamino)sulfanylnaphthalen-1-yl]amino]-3-(2-chlorophenyl)-1-oxopropan-2-yl]benzamide
CID 146544907
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
benzyl N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 3440352
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 146544712
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 142474792

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide (CID 146503438) is N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide is CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)C(Cc3ccc(Cl)cc3)NC(=O)c3ccccc3)cccc12.
What is the InChIKey of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide?
The InChIKey is OTWFJMXIXLAVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN3O4S/c1-30(2,3)34-39(37,38)27-14-8-11-23-24(27)12-7-13-25(23)32-29(36)26(19-20-15-17-22(31)18-16-20)33-28(35)21-9-5-4-6-10-21/h4-18,26,34H,19H2,1-3H3,(H,32,36)(H,33,35).
What are the key properties of N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide?
N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide has a molecular weight of 564.11 g/mol, XLogP of 5.55, 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]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 146503438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).