ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate

C17H27N3O5S — CID 46432540

IUPACethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(S(=O)(=O)NC)cc1)CC(C)C
InChIInChI=1S/C17H27N3O5S/c1-5-25-17(22)20-14(10-12(2)3)11-19-16(21)13-6-8-15(9-7-13)26(23,24)18-4/h6-9,12,14,18H,5,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyUSFSXNZCXQJTCY-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.49
Rot. Bonds9

About ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate

ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate (PubChem CID 46432540) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
PubChem CID46432540
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Nameethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(S(=O)(=O)NC)cc1)CC(C)C
InChIInChI=1S/C17H27N3O5S/c1-5-25-17(22)20-14(10-12(2)3)11-19-16(21)13-6-8-15(9-7-13)26(23,24)18-4/h6-9,12,14,18H,5,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyUSFSXNZCXQJTCY-UHFFFAOYSA-N
XLogP1.49
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[4-methyl-1-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]pentan-2-yl]carbamate
CID 46432492
ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
CID 55654786
ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46432510
ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate
CID 60580044
ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate
CID 55654909
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 46432538
ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 60566688

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate (CID 46432540) is ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1ccc(S(=O)(=O)NC)cc1)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate?
The InChIKey is USFSXNZCXQJTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-5-25-17(22)20-14(10-12(2)3)11-19-16(21)13-6-8-15(9-7-13)26(23,24)18-4/h6-9,12,14,18H,5,10-11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate has a molecular weight of 385.49 g/mol, XLogP of 1.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 46432540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).