1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea

C15H22N6O4S — CID 72922256

IUPAC1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCCC(NC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1)c1nc(C)no1
InChIInChI=1S/C15H22N6O4S/c1-5-13(14-16-10(2)19-25-14)18-15(22)17-11-7-6-8-12(9-11)20-26(23,24)21(3)4/h6-9,13,20H,5H2,1-4H3,(H2,17,18,22)
InChIKeyPFISVBOXNGRZEM-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.87
Rot. Bonds7

About 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea

1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 72922256) has the molecular formula C15H22N6O4S and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
PubChem CID72922256
Molecular FormulaC15H22N6O4S
Molecular Weight382.45 g/mol
Exact Mass382.14
IUPAC Name1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCCC(NC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1)c1nc(C)no1
InChIInChI=1S/C15H22N6O4S/c1-5-13(14-16-10(2)19-25-14)18-15(22)17-11-7-6-8-12(9-11)20-26(23,24)21(3)4/h6-9,13,20H,5H2,1-4H3,(H2,17,18,22)
InChIKeyPFISVBOXNGRZEM-UHFFFAOYSA-N
XLogP1.87
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea with MolForge

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Related Compounds

1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea
CID 97455536
1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-[3-(dimethylsulfamoylamino)phenyl]urea
CID 72918904
N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284551
N-[3-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284543
2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide
CID 72892647
3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125448468
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125171592
1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea
CID 125180090
4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 91760035
1-(2-aminopropyl)-3-(dimethylsulfamoylamino)benzene
CID 21327409
1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 97318670
1-(3-cyanophenyl)-3-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]urea
CID 42797901

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The IUPAC name of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 72922256) is 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea.
What is the SMILES notation for 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The canonical SMILES for 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea is CCC(NC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1)c1nc(C)no1.
What is the InChIKey of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The InChIKey is PFISVBOXNGRZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O4S/c1-5-13(14-16-10(2)19-25-14)18-15(22)17-11-7-6-8-12(9-11)20-26(23,24)21(3)4/h6-9,13,20H,5H2,1-4H3,(H2,17,18,22).
What are the key properties of 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 382.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 72922256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).