3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide

C23H24N4O5S — CID 4850353

IUPAC3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNC(=O)NC(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H24N4O5S/c24-23(29)27-21(17-5-4-8-19(13-17)32-18-6-2-1-3-7-18)14-22(28)26-15-16-9-11-20(12-10-16)33(25,30)31/h1-13,21H,14-15H2,(H,26,28)(H3,24,27,29)(H2,25,30,31)
InChIKeyKSPXKSNDKKNCQB-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.54
Rot. Bonds9

About 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide

3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 4850353) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID4850353
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNC(=O)NC(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H24N4O5S/c24-23(29)27-21(17-5-4-8-19(13-17)32-18-6-2-1-3-7-18)14-22(28)26-15-16-9-11-20(12-10-16)33(25,30)31/h1-13,21H,14-15H2,(H,26,28)(H3,24,27,29)(H2,25,30,31)
InChIKeyKSPXKSNDKKNCQB-UHFFFAOYSA-N
XLogP2.54
TPSA153.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide
CID 42908374
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119640789
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9213620
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide
CID 167827511
N-[3-(aminomethyl)pentan-3-yl]-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119569555

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 4850353) is 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide is NC(=O)NC(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is KSPXKSNDKKNCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c24-23(29)27-21(17-5-4-8-19(13-17)32-18-6-2-1-3-7-18)14-22(28)26-15-16-9-11-20(12-10-16)33(25,30)31/h1-13,21H,14-15H2,(H,26,28)(H3,24,27,29)(H2,25,30,31).
What are the key properties of 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 468.54 g/mol, XLogP of 2.54, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 4850353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).