1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea

C23H33N3O3S — CID 118398387

IUPAC1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea
SMILESCC(C)N(CCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C23H33N3O3S/c1-19(2)26(23(27)24-17-8-11-20-9-6-5-7-10-20)18-16-21-12-14-22(15-13-21)30(28,29)25(3)4/h5-7,9-10,12-15,19H,8,11,16-18H2,1-4H3,(H,24,27)
InChIKeyQXTQFDAZNXNFPM-UHFFFAOYSA-N
MW431.60 g/mol
LogP3.53
Rot. Bonds10

About 1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea

1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea (PubChem CID 118398387) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is 1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea
PubChem CID118398387
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea
SMILESCC(C)N(CCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C23H33N3O3S/c1-19(2)26(23(27)24-17-8-11-20-9-6-5-7-10-20)18-16-21-12-14-22(15-13-21)30(28,29)25(3)4/h5-7,9-10,12-15,19H,8,11,16-18H2,1-4H3,(H,24,27)
InChIKeyQXTQFDAZNXNFPM-UHFFFAOYSA-N
XLogP3.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea
CID 142727616
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
CID 142727630
2-[4-(dimethylsulfamoyl)phenyl]-N-(2-phenylethyl)acetamide
CID 110674498
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043
1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea
CID 86986671
N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 24676552
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
CID 108902247
2-chloro-5-(dimethylsulfamoyl)-N,N-bis(2-phenylethyl)benzamide
CID 38071509
2,4-dioxo-4-[2-phenylethyl(propan-2-yl)amino]butanoic acid
CID 142214418
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
CID 125053712
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide
CID 132673649

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea?
The IUPAC name of 1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea (CID 118398387) is 1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea?
The canonical SMILES for 1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea is CC(C)N(CCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NCCCc1ccccc1.
What is the InChIKey of 1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea?
The InChIKey is QXTQFDAZNXNFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-19(2)26(23(27)24-17-8-11-20-9-6-5-7-10-20)18-16-21-12-14-22(15-13-21)30(28,29)25(3)4/h5-7,9-10,12-15,19H,8,11,16-18H2,1-4H3,(H,24,27).
What are the key properties of 1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea?
1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea has a molecular weight of 431.60 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea is sourced from PubChem (CID 118398387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).