ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate

C13H21N3O4S — CID 114463183

IUPACethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
SMILESCCNC(C)c1ccccc1NS(=O)(=O)NC(=O)OCC
InChIInChI=1S/C13H21N3O4S/c1-4-14-10(3)11-8-6-7-9-12(11)15-21(18,19)16-13(17)20-5-2/h6-10,14-15H,4-5H2,1-3H3,(H,16,17)
InChIKeyJLZXSKHBINZTQJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.76
Rot. Bonds7

About ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate

ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate (PubChem CID 114463183) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
PubChem CID114463183
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Nameethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
SMILESCCNC(C)c1ccccc1NS(=O)(=O)NC(=O)OCC
InChIInChI=1S/C13H21N3O4S/c1-4-14-10(3)11-8-6-7-9-12(11)15-21(18,19)16-13(17)20-5-2/h6-10,14-15H,4-5H2,1-3H3,(H,16,17)
InChIKeyJLZXSKHBINZTQJ-UHFFFAOYSA-N
XLogP1.76
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
CID 60858301
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CID 63245696
N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
CID 43508200
ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
CID 107640756
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
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N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
CID 63856595
N-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
CID 106826466
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
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CID 61457351

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate (CID 114463183) is ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate is CCNC(C)c1ccccc1NS(=O)(=O)NC(=O)OCC.
What is the InChIKey of ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate?
The InChIKey is JLZXSKHBINZTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-4-14-10(3)11-8-6-7-9-12(11)15-21(18,19)16-13(17)20-5-2/h6-10,14-15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate?
ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate has a molecular weight of 315.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate is sourced from PubChem (CID 114463183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).