methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate

C17H27N3O5S — CID 8650979

IUPACmethyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)OC)cc1
InChIInChI=1S/C17H27N3O5S/c1-6-20(7-2)26(23,24)15-10-8-14(9-11-15)12(3)18-13(4)16(21)19-17(22)25-5/h8-13,18H,6-7H2,1-5H3,(H,19,21,22)/t12-,13+/m0/s1
InChIKeyNLRJZLKYROCABP-QWHCGFSZSA-N
MW385.49 g/mol
LogP1.64
Rot. Bonds8

About methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate

methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate (PubChem CID 8650979) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate
PubChem CID8650979
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Namemethyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)OC)cc1
InChIInChI=1S/C17H27N3O5S/c1-6-20(7-2)26(23,24)15-10-8-14(9-11-15)12(3)18-13(4)16(21)19-17(22)25-5/h8-13,18H,6-7H2,1-5H3,(H,19,21,22)/t12-,13+/m0/s1
InChIKeyNLRJZLKYROCABP-QWHCGFSZSA-N
XLogP1.64
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650158
(2S)-N-cyclopentyl-2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650109
(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650061
2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55432689
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide
CID 97233261
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide
CID 55339007
tert-butyl N-[3-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-3-oxopropyl]carbamate
CID 9223924

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate?
The IUPAC name of methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate (CID 8650979) is methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate?
The canonical SMILES for methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate is CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)OC)cc1.
What is the InChIKey of methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate?
The InChIKey is NLRJZLKYROCABP-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-6-20(7-2)26(23,24)15-10-8-14(9-11-15)12(3)18-13(4)16(21)19-17(22)25-5/h8-13,18H,6-7H2,1-5H3,(H,19,21,22)/t12-,13+/m0/s1.
What are the key properties of methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate?
methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate has a molecular weight of 385.49 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate is sourced from PubChem (CID 8650979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).