1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea

C26H25N3O3S2 — CID 137483089

IUPAC1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea
SMILESCC(C)c1cccc(NC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)ccc2-c2ccsc2)c1
InChIInChI=1S/C26H25N3O3S2/c1-18(2)19-7-6-10-22(15-19)27-26(30)28-25-16-23(11-12-24(25)20-13-14-33-17-20)34(31,32)29-21-8-4-3-5-9-21/h3-18,29H,1-2H3,(H2,27,28,30)
InChIKeyIYAICSJZPUVJSO-UHFFFAOYSA-N
MW491.64 g/mol
LogP6.98
Rot. Bonds7

About 1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea

1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea (PubChem CID 137483089) has the molecular formula C26H25N3O3S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea
PubChem CID137483089
Molecular FormulaC26H25N3O3S2
Molecular Weight491.64 g/mol
Exact Mass491.13
IUPAC Name1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea
SMILESCC(C)c1cccc(NC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)ccc2-c2ccsc2)c1
InChIInChI=1S/C26H25N3O3S2/c1-18(2)19-7-6-10-22(15-19)27-26(30)28-25-16-23(11-12-24(25)20-13-14-33-17-20)34(31,32)29-21-8-4-3-5-9-21/h3-18,29H,1-2H3,(H2,27,28,30)
InChIKeyIYAICSJZPUVJSO-UHFFFAOYSA-N
XLogP6.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-benzylsulfonyl-2-thiophen-3-ylphenyl)-3-(3,4-dimethylphenyl)urea
CID 159015703
1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90101439
1-[5-[2-(hydroxymethyl)-3-methylbutyl]sulfonyl-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157261681
3-[(2-fluoroanilino)methylamino]-N-phenyl-4-thiophen-3-ylbenzenesulfonamide
CID 123356027
1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
CID 56560659
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 66354403
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
CID 18226548
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
2-(1-phenylethylamino)-5-(phenylsulfamoyl)benzoic acid
CID 133144406
2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide
CID 135320509

Frequently Asked Questions

What is the IUPAC name of 1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea?
The IUPAC name of 1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea (CID 137483089) is 1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea is CC(C)c1cccc(NC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)ccc2-c2ccsc2)c1.
What is the InChIKey of 1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea?
The InChIKey is IYAICSJZPUVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S2/c1-18(2)19-7-6-10-22(15-19)27-26(30)28-25-16-23(11-12-24(25)20-13-14-33-17-20)34(31,32)29-21-8-4-3-5-9-21/h3-18,29H,1-2H3,(H2,27,28,30).
What are the key properties of 1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea?
1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea has a molecular weight of 491.64 g/mol, XLogP of 6.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(phenylsulfamoyl)-2-thiophen-3-ylphenyl]-3-(3-propan-2-ylphenyl)urea is sourced from PubChem (CID 137483089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).