[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea

C10H14N4O4S2 — CID 89489484

IUPAC[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea
SMILESCS(=O)(=O)Nc1ccc(OCC(=O)NNC(N)=S)cc1
InChIInChI=1S/C10H14N4O4S2/c1-20(16,17)14-7-2-4-8(5-3-7)18-6-9(15)12-13-10(11)19/h2-5,14H,6H2,1H3,(H,12,15)(H3,11,13,19)
InChIKeyMQWZYRQVWWMWFO-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.70
Rot. Bonds5

About [[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea

[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea (PubChem CID 89489484) has the molecular formula C10H14N4O4S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is [[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea.

Molecular Properties

Compound Name[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea
PubChem CID89489484
Molecular FormulaC10H14N4O4S2
Molecular Weight318.38 g/mol
Exact Mass318.05
IUPAC Name[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea
SMILESCS(=O)(=O)Nc1ccc(OCC(=O)NNC(N)=S)cc1
InChIInChI=1S/C10H14N4O4S2/c1-20(16,17)14-7-2-4-8(5-3-7)18-6-9(15)12-13-10(11)19/h2-5,14H,6H2,1H3,(H,12,15)(H3,11,13,19)
InChIKeyMQWZYRQVWWMWFO-UHFFFAOYSA-N
XLogP-0.70
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 11020991
[[2-(4-bromophenoxy)acetyl]amino]thiourea
CID 46706012
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
potassium N-[[2-(4-methylsulfonylphenoxy)acetyl]amino]carbamodithioate
CID 23674470
2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide
CID 166339242
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide
CID 120705717
2-(4-tert-butylphenoxy)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]ethanethioamide
CID 87803381
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide
CID 35545211
2-[4-(2-ethoxyethylsulfonylamino)phenoxy]ethanethioamide
CID 63245611
N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide
CID 3073648
2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl-[2-[4-(methanesulfonamido)phenyl]-2-oxoethyl]-dimethylazanium
CID 110171537

Frequently Asked Questions

What is the IUPAC name of [[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea?
The IUPAC name of [[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea (CID 89489484) is [[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea.
What is the SMILES notation for [[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea?
The canonical SMILES for [[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea is CS(=O)(=O)Nc1ccc(OCC(=O)NNC(N)=S)cc1.
What is the InChIKey of [[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea?
The InChIKey is MQWZYRQVWWMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S2/c1-20(16,17)14-7-2-4-8(5-3-7)18-6-9(15)12-13-10(11)19/h2-5,14H,6H2,1H3,(H,12,15)(H3,11,13,19).
What are the key properties of [[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea?
[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea has a molecular weight of 318.38 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea is sourced from PubChem (CID 89489484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).