1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea

C13H19N7O4S — CID 72879134

IUPAC1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCOc1cc(NC(=O)NCCNS(C)(=O)=O)cc(-n2nnnc2C)c1
InChIInChI=1S/C13H19N7O4S/c1-9-17-18-19-20(9)11-6-10(7-12(8-11)24-2)16-13(21)14-4-5-15-25(3,22)23/h6-8,15H,4-5H2,1-3H3,(H2,14,16,21)
InChIKeyZQBTUYFOMXOBDX-UHFFFAOYSA-N
MW369.41 g/mol
LogP-0.35
Rot. Bonds7

About 1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea

1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea (PubChem CID 72879134) has the molecular formula C13H19N7O4S and a molecular weight of 369.41 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
PubChem CID72879134
Molecular FormulaC13H19N7O4S
Molecular Weight369.41 g/mol
Exact Mass369.12
IUPAC Name1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCOc1cc(NC(=O)NCCNS(C)(=O)=O)cc(-n2nnnc2C)c1
InChIInChI=1S/C13H19N7O4S/c1-9-17-18-19-20(9)11-6-10(7-12(8-11)24-2)16-13(21)14-4-5-15-25(3,22)23/h6-8,15H,4-5H2,1-3H3,(H2,14,16,21)
InChIKeyZQBTUYFOMXOBDX-UHFFFAOYSA-N
XLogP-0.35
TPSA140.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
CID 72860216
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
CID 97284308
1-chloro-3-[3-methoxy-5-(5-methyltetrazol-1-yl)anilino]propan-2-ol
CID 168637806
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 55697872
2-[[3-methoxy-5-(5-methyltetrazol-1-yl)anilino]methylidene]propanedinitrile
CID 168542547
1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 72918036
ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole
CID 144718344
ethyl 4-[2-(methanesulfonamido)ethylcarbamoylamino]benzoate
CID 74241298
1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 75463706
1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72875346
1-(4-acetylphenyl)-3-[2-(methanesulfonamido)ethyl]urea
CID 47022405
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 51946446

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea (CID 72879134) is 1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea is COc1cc(NC(=O)NCCNS(C)(=O)=O)cc(-n2nnnc2C)c1.
What is the InChIKey of 1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea?
The InChIKey is ZQBTUYFOMXOBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O4S/c1-9-17-18-19-20(9)11-6-10(7-12(8-11)24-2)16-13(21)14-4-5-15-25(3,22)23/h6-8,15H,4-5H2,1-3H3,(H2,14,16,21).
What are the key properties of 1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea?
1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea has a molecular weight of 369.41 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)ethyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 72879134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).