1-decyl-3-(4-sulfamoylphenyl)thiourea

C17H29N3O2S2 — CID 19651236

IUPAC1-decyl-3-(4-sulfamoylphenyl)thiourea
SMILESCCCCCCCCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H29N3O2S2/c1-2-3-4-5-6-7-8-9-14-19-17(23)20-15-10-12-16(13-11-15)24(18,21)22/h10-13H,2-9,14H2,1H3,(H2,18,21,22)(H2,19,20,23)
InChIKeyAWMUPFHABGAZOW-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.76
Rot. Bonds11

About 1-decyl-3-(4-sulfamoylphenyl)thiourea

1-decyl-3-(4-sulfamoylphenyl)thiourea (PubChem CID 19651236) has the molecular formula C17H29N3O2S2 and a molecular weight of 371.57 g/mol. Its IUPAC name is 1-decyl-3-(4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-decyl-3-(4-sulfamoylphenyl)thiourea
PubChem CID19651236
Molecular FormulaC17H29N3O2S2
Molecular Weight371.57 g/mol
Exact Mass371.17
IUPAC Name1-decyl-3-(4-sulfamoylphenyl)thiourea
SMILESCCCCCCCCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H29N3O2S2/c1-2-3-4-5-6-7-8-9-14-19-17(23)20-15-10-12-16(13-11-15)24(18,21)22/h10-13H,2-9,14H2,1H3,(H2,18,21,22)(H2,19,20,23)
InChIKeyAWMUPFHABGAZOW-UHFFFAOYSA-N
XLogP3.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-3-(4-methylsulfonylphenyl)thiourea
CID 122437166
4-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid
CID 10495711
1-dodecyl-3-(4-ethylphenyl)thiourea
CID 19651364
1-(2-ethylhexyl)-3-(4-sulfamoylphenyl)thiourea
CID 19651786
1-(4-fluorophenyl)-3-pentylthiourea
CID 19650686
1-[5-(pyridin-2-ylmethylamino)pentyl]-3-(4-sulfamoylphenyl)thiourea
CID 90305616
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
1-dodecyl-3-(4-methoxyphenyl)thiourea
CID 19651361
1-decyl-3-(4-propan-2-ylphenyl)thiourea
CID 19651185
1-(4-bromophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 25040998
1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 1213468
1-decyl-3-(3,4-dimethylphenyl)thiourea
CID 19651197

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-(4-sulfamoylphenyl)thiourea?
The IUPAC name of 1-decyl-3-(4-sulfamoylphenyl)thiourea (CID 19651236) is 1-decyl-3-(4-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-decyl-3-(4-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-decyl-3-(4-sulfamoylphenyl)thiourea is CCCCCCCCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-decyl-3-(4-sulfamoylphenyl)thiourea?
The InChIKey is AWMUPFHABGAZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S2/c1-2-3-4-5-6-7-8-9-14-19-17(23)20-15-10-12-16(13-11-15)24(18,21)22/h10-13H,2-9,14H2,1H3,(H2,18,21,22)(H2,19,20,23).
What are the key properties of 1-decyl-3-(4-sulfamoylphenyl)thiourea?
1-decyl-3-(4-sulfamoylphenyl)thiourea has a molecular weight of 371.57 g/mol, XLogP of 3.76, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-(4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 19651236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).