benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate

C24H27N3O5S — CID 4076357

IUPACbenzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate
SMILESCCCNS(=O)(=O)c1cccc2c(NC(=O)C(C)NC(=O)OCc3ccccc3)cccc12
InChIInChI=1S/C24H27N3O5S/c1-3-15-25-33(30,31)22-14-8-11-19-20(22)12-7-13-21(19)27-23(28)17(2)26-24(29)32-16-18-9-5-4-6-10-18/h4-14,17,25H,3,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyDTFQHTJJPFLAMD-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.78
Rot. Bonds9

About benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate

benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate (PubChem CID 4076357) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate
PubChem CID4076357
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Namebenzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate
SMILESCCCNS(=O)(=O)c1cccc2c(NC(=O)C(C)NC(=O)OCc3ccccc3)cccc12
InChIInChI=1S/C24H27N3O5S/c1-3-15-25-33(30,31)22-14-8-11-19-20(22)12-7-13-21(19)27-23(28)17(2)26-24(29)32-16-18-9-5-4-6-10-18/h4-14,17,25H,3,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyDTFQHTJJPFLAMD-UHFFFAOYSA-N
XLogP3.78
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2S,3R)-1-[[5-(ethylsulfamoyl)naphthalen-1-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 27235731
benzyl N-[(2R,3R)-1-[[5-(ethylsulfamoyl)naphthalen-1-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 27235732
benzyl N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 3440352
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CID 23822673
benzyl N-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]carbamate
CID 67654801
benzyl N-[1-oxo-1-(undecylamino)propan-2-yl]carbamate
CID 135363968
ethyl (2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 15384115
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 45049798
benzyl N-[1-(2-amino-4-chloroanilino)-1-oxopropan-2-yl]carbamate
CID 59848583
tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 171782458
dibenzyl 2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanedioate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate (CID 4076357) is benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate is CCCNS(=O)(=O)c1cccc2c(NC(=O)C(C)NC(=O)OCc3ccccc3)cccc12.
What is the InChIKey of benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate?
The InChIKey is DTFQHTJJPFLAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-3-15-25-33(30,31)22-14-8-11-19-20(22)12-7-13-21(19)27-23(28)17(2)26-24(29)32-16-18-9-5-4-6-10-18/h4-14,17,25H,3,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate?
benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate has a molecular weight of 469.56 g/mol, XLogP of 3.78, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-oxo-1-[[5-(propylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 4076357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).