1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

C19H23N3O4S — CID 108874657

IUPAC1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-14-2-6-16(7-3-14)18(23)11-13-22-19(24)21-12-10-15-4-8-17(9-5-15)27(20,25)26/h2-9H,10-13H2,1H3,(H2,20,25,26)(H2,21,22,24)
InChIKeyMTWJPRPAPWQBGN-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.76
Rot. Bonds8

About 1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 108874657) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID108874657
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-14-2-6-16(7-3-14)18(23)11-13-22-19(24)21-12-10-15-4-8-17(9-5-15)27(20,25)26/h2-9H,10-13H2,1H3,(H2,20,25,26)(H2,21,22,24)
InChIKeyMTWJPRPAPWQBGN-UHFFFAOYSA-N
XLogP1.76
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874692
4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 24634981
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538363
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198226
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 108874657) is 1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is Cc1ccc(C(=O)CCNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is MTWJPRPAPWQBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-2-6-16(7-3-14)18(23)11-13-22-19(24)21-12-10-15-4-8-17(9-5-15)27(20,25)26/h2-9H,10-13H2,1H3,(H2,20,25,26)(H2,21,22,24).
What are the key properties of 1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 389.48 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 108874657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).