N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide

C14H22N4O5S — CID 118760768

IUPACN-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)NCCS(=O)(=O)NC)ccc1OC
InChIInChI=1S/C14H22N4O5S/c1-4-13(19)18-11-9-10(5-6-12(11)23-3)17-14(20)16-7-8-24(21,22)15-2/h5-6,9,15H,4,7-8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyKWEKYUKPEMZGTG-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.71
Rot. Bonds8

About N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide

N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide (PubChem CID 118760768) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide
PubChem CID118760768
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC NameN-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)NCCS(=O)(=O)NC)ccc1OC
InChIInChI=1S/C14H22N4O5S/c1-4-13(19)18-11-9-10(5-6-12(11)23-3)17-14(20)16-7-8-24(21,22)15-2/h5-6,9,15H,4,7-8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyKWEKYUKPEMZGTG-UHFFFAOYSA-N
XLogP0.71
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea
CID 118777029
2-[(4-methoxy-3-methoxycarbonylphenyl)carbamoylamino]ethanesulfonic acid
CID 58572121
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 118788124
2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid
CID 106340736
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 72854483
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088
N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide
CID 16609082
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide?
The IUPAC name of N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide (CID 118760768) is N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide?
The canonical SMILES for N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide is CCC(=O)Nc1cc(NC(=O)NCCS(=O)(=O)NC)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide?
The InChIKey is KWEKYUKPEMZGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-4-13(19)18-11-9-10(5-6-12(11)23-3)17-14(20)16-7-8-24(21,22)15-2/h5-6,9,15H,4,7-8H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide?
N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide has a molecular weight of 358.42 g/mol, XLogP of 0.71, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide is sourced from PubChem (CID 118760768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).