1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea

C17H21N3O3S2 — CID 25037283

IUPAC1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
SMILESCCNC(=S)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H21N3O3S2/c1-4-18-17(24)19-15-10-5-12(2)11-16(15)25(21,22)20-13-6-8-14(23-3)9-7-13/h5-11,20H,4H2,1-3H3,(H2,18,19,24)
InChIKeyIIOCDFXDBXVROZ-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.11
Rot. Bonds6

About 1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea

1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea (PubChem CID 25037283) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
PubChem CID25037283
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
SMILESCCNC(=S)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H21N3O3S2/c1-4-18-17(24)19-15-10-5-12(2)11-16(15)25(21,22)20-13-6-8-14(23-3)9-7-13/h5-11,20H,4H2,1-3H3,(H2,18,19,24)
InChIKeyIIOCDFXDBXVROZ-UHFFFAOYSA-N
XLogP3.11
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.11
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

1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea
CID 25039010
1-benzyl-3-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047925
1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
CID 25044379
1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea
CID 25035110
1-(2,4-dimethylphenyl)-3-[2-[(4-iodophenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 25036024
1-[2-[(4-iodophenyl)sulfamoyl]-4-methylphenyl]-3-(4-phenoxyphenyl)thiourea
CID 25047088
1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 25043502
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 42992972
1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea
CID 25046526
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 26851497
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea?
The IUPAC name of 1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea (CID 25037283) is 1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea.
What is the SMILES notation for 1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea?
The canonical SMILES for 1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea is CCNC(=S)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea?
The InChIKey is IIOCDFXDBXVROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-4-18-17(24)19-15-10-5-12(2)11-16(15)25(21,22)20-13-6-8-14(23-3)9-7-13/h5-11,20H,4H2,1-3H3,(H2,18,19,24).
What are the key properties of 1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea?
1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea has a molecular weight of 379.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea is sourced from PubChem (CID 25037283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).