N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C18H22N4O4S — CID 46518240

IUPACN-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C18H22N4O4S/c1-19-18(24)22-15-8-6-14(7-9-15)21-17(23)12-5-13-3-10-16(11-4-13)27(25,26)20-2/h3-4,6-11,20H,5,12H2,1-2H3,(H,21,23)(H2,19,22,24)
InChIKeyWHZMNDPISUBAHY-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.92
Rot. Bonds7

About N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 46518240) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID46518240
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C18H22N4O4S/c1-19-18(24)22-15-8-6-14(7-9-15)21-17(23)12-5-13-3-10-16(11-4-13)27(25,26)20-2/h3-4,6-11,20H,5,12H2,1-2H3,(H,21,23)(H2,19,22,24)
InChIKeyWHZMNDPISUBAHY-UHFFFAOYSA-N
XLogP1.92
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide
CID 55619533
3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 177005008
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 46521495
N-[4-(4-ethoxyphenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55363172
3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 27650136
N-[4-(3-fluorophenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 52706285
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 18159034

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 46518240) is N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CNC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)cc1.
What is the InChIKey of N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is WHZMNDPISUBAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-19-18(24)22-15-8-6-14(7-9-15)21-17(23)12-5-13-3-10-16(11-4-13)27(25,26)20-2/h3-4,6-11,20H,5,12H2,1-2H3,(H,21,23)(H2,19,22,24).
What are the key properties of N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 390.47 g/mol, XLogP of 1.92, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 46518240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).