1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea

C16H19N3O3S2 — CID 9233554

IUPAC1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1
InChIInChI=1S/C16H19N3O3S2/c1-10-7-14(24(17,20)21)9-15(11(10)2)19-16(23)18-12-5-4-6-13(8-12)22-3/h4-9H,1-3H3,(H2,17,20,21)(H2,18,19,23)
InChIKeyYJHXDPGYWABFGG-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.77
Rot. Bonds4

About 1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea

1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea (PubChem CID 9233554) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea
PubChem CID9233554
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1
InChIInChI=1S/C16H19N3O3S2/c1-10-7-14(24(17,20)21)9-15(11(10)2)19-16(23)18-12-5-4-6-13(8-12)22-3/h4-9H,1-3H3,(H2,17,20,21)(H2,18,19,23)
InChIKeyYJHXDPGYWABFGG-UHFFFAOYSA-N
XLogP2.77
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.77
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

N-(3-methoxyphenyl)-3-methyl-5-sulfamoylbenzamide
CID 110678124
1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)thiourea
CID 42993075
N-(3-methoxyphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 43022494
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
N-(2,3-dimethyl-5-sulfamoylphenyl)-2,5-dimethoxybenzamide
CID 9141653
1-(3-methoxyphenyl)-3-(2-methyl-3-nitrophenyl)thiourea
CID 17255314
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55678173
1-(4-iodo-3-methylphenyl)-3-(3-methoxyphenyl)thiourea
CID 23793872
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55559120
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)carbamothioylamino]thiourea
CID 8658991
ethyl 3-[(3-methoxyphenyl)carbamothioylamino]benzoate
CID 19687779
1-[(4-methoxyphenyl)methyl]-3-(3-sulfamoylphenyl)thiourea
CID 8620377

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea (CID 9233554) is 1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1.
What is the InChIKey of 1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea?
The InChIKey is YJHXDPGYWABFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-10-7-14(24(17,20)21)9-15(11(10)2)19-16(23)18-12-5-4-6-13(8-12)22-3/h4-9H,1-3H3,(H2,17,20,21)(H2,18,19,23).
What are the key properties of 1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea?
1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea has a molecular weight of 365.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 9233554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).