N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide

C17H20N4O4S — CID 55363773

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCc1ccc(NC(=O)C(C)NC(=O)Nc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H20N4O4S/c1-11-8-9-14(10-15(11)26(18,24)25)20-16(22)12(2)19-17(23)21-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,22)(H2,18,24,25)(H2,19,21,23)
InChIKeyDNYICLYSRJQHAD-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.79
Rot. Bonds5

About N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide

N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide (PubChem CID 55363773) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide
PubChem CID55363773
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCc1ccc(NC(=O)C(C)NC(=O)Nc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H20N4O4S/c1-11-8-9-14(10-15(11)26(18,24)25)20-16(22)12(2)19-17(23)21-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,22)(H2,18,24,25)(H2,19,21,23)
InChIKeyDNYICLYSRJQHAD-UHFFFAOYSA-N
XLogP1.79
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51143820
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55365933
N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide
CID 133339349
N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119383618
2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 9479366

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide (CID 55363773) is N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide is Cc1ccc(NC(=O)C(C)NC(=O)Nc2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide?
The InChIKey is DNYICLYSRJQHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-11-8-9-14(10-15(11)26(18,24)25)20-16(22)12(2)19-17(23)21-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,22)(H2,18,24,25)(H2,19,21,23).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide?
N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide has a molecular weight of 376.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 55363773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).