1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea

C16H19N3O3S2 — CID 4159119

IUPAC1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
SMILESCCNC(=S)Nc1cccc(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C16H19N3O3S2/c1-3-17-16(23)18-12-7-6-8-13(11-12)24(20,21)19-14-9-4-5-10-15(14)22-2/h4-11,19H,3H2,1-2H3,(H2,17,18,23)
InChIKeyWOJCMHWAJNPIFR-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.80
Rot. Bonds6

About 1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea

1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea (PubChem CID 4159119) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
PubChem CID4159119
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
SMILESCCNC(=S)Nc1cccc(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C16H19N3O3S2/c1-3-17-16(23)18-12-7-6-8-13(11-12)24(20,21)19-14-9-4-5-10-15(14)22-2/h4-11,19H,3H2,1-2H3,(H2,17,18,23)
InChIKeyWOJCMHWAJNPIFR-UHFFFAOYSA-N
XLogP2.80
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-methoxyphenyl)-2-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3695295
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 3851493
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
5-Amino-N-(2-methoxy-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 2947325
3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulphonamide
CID 1643
1-(2-Methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817798
N-(2-methoxyphenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
CID 2384731
1-[3-[(4-Methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiourea
CID 3656882
3-(2-Methoxyphenyl)-1-(4-sulfamoylphenyl)urea
CID 307522
N-(4-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940245
N-(2-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372216
3-Amino-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
CID 4657581

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The IUPAC name of 1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea (CID 4159119) is 1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea.
What is the SMILES notation for 1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The canonical SMILES for 1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea is CCNC(=S)Nc1cccc(S(=O)(=O)Nc2ccccc2OC)c1.
What is the InChIKey of 1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The InChIKey is WOJCMHWAJNPIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-3-17-16(23)18-12-7-6-8-13(11-12)24(20,21)19-14-9-4-5-10-15(14)22-2/h4-11,19H,3H2,1-2H3,(H2,17,18,23).
What are the key properties of 1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea has a molecular weight of 365.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea is sourced from PubChem (CID 4159119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).