1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea

C12H19N3O3S2 — CID 47120984

IUPAC1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)NC2CCCCC2)s1
InChIInChI=1S/C12H19N3O3S2/c13-20(17,18)11-7-6-10(19-11)8-14-12(16)15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,13,17,18)(H2,14,15,16)
InChIKeyOKHRWQDAEBWIDA-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.53
Rot. Bonds4

About 1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea

1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea (PubChem CID 47120984) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea
PubChem CID47120984
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)NC2CCCCC2)s1
InChIInChI=1S/C12H19N3O3S2/c13-20(17,18)11-7-6-10(19-11)8-14-12(16)15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,13,17,18)(H2,14,15,16)
InChIKeyOKHRWQDAEBWIDA-UHFFFAOYSA-N
XLogP1.53
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 110991352
2-cyclohexyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 43093036
2-cyclobutyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103706432
2,2-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103837282
N-(4,4-dimethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 65382614
2-cyclopropyl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 79506363
1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
CID 104588445
9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984442
N-(4-ethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60759072
2-cyclohexyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43246450
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]oxolane-2-carboxamide
CID 81425841
4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride
CID 166414330

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea (CID 47120984) is 1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea is NS(=O)(=O)c1ccc(CNC(=O)NC2CCCCC2)s1.
What is the InChIKey of 1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea?
The InChIKey is OKHRWQDAEBWIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c13-20(17,18)11-7-6-10(19-11)8-14-12(16)15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,13,17,18)(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea?
1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea has a molecular weight of 317.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 47120984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).