1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C24H32N4O4S — CID 2349676

IUPAC1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1
InChIInChI=1S/C24H32N4O4S/c1-7-28(8-2)33(31,32)21-14-10-12-19(16-21)22(29)26-27-23(30)25-24(5,6)20-13-9-11-18(15-20)17(3)4/h9-16H,3,7-8H2,1-2,4-6H3,(H,26,29)(H2,25,27,30)
InChIKeyORGZKRDQOLKWHM-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.63
Rot. Bonds8

About 1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 2349676) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID2349676
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1
InChIInChI=1S/C24H32N4O4S/c1-7-28(8-2)33(31,32)21-14-10-12-19(16-21)22(29)26-27-23(30)25-24(5,6)20-13-9-11-18(15-20)17(3)4/h9-16H,3,7-8H2,1-2,4-6H3,(H,26,29)(H2,25,27,30)
InChIKeyORGZKRDQOLKWHM-UHFFFAOYSA-N
XLogP3.63
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-[[4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzoyl]amino]urea
CID 4246352
1-[2-(diethylamino)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2307820
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
3-[[1-(3,4-dimethoxyphenyl)ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2692154
1-(4-tert-butylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 71462576
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853
1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 3856277
2-[4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]butylamino]ethylphosphonic acid
CID 169012887

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 2349676) is 1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1.
What is the InChIKey of 1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is ORGZKRDQOLKWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-7-28(8-2)33(31,32)21-14-10-12-19(16-21)22(29)26-27-23(30)25-24(5,6)20-13-9-11-18(15-20)17(3)4/h9-16H,3,7-8H2,1-2,4-6H3,(H,26,29)(H2,25,27,30).
What are the key properties of 1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 472.61 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(diethylsulfamoyl)benzoyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 2349676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).