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

C15H25N3O3S2 — CID 166367969

IUPAC1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea
SMILESCCC1CCCC(CNC(=O)NCc2ccsc2S(N)(=O)=O)C1
InChIInChI=1S/C15H25N3O3S2/c1-2-11-4-3-5-12(8-11)9-17-15(19)18-10-13-6-7-22-14(13)23(16,20)21/h6-7,11-12H,2-5,8-10H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyBZYRNAUHOVJDQB-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.41
Rot. Bonds6

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

1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea (PubChem CID 166367969) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea
PubChem CID166367969
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC Name1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea
SMILESCCC1CCCC(CNC(=O)NCc2ccsc2S(N)(=O)=O)C1
InChIInChI=1S/C15H25N3O3S2/c1-2-11-4-3-5-12(8-11)9-17-15(19)18-10-13-6-7-22-14(13)23(16,20)21/h6-7,11-12H,2-5,8-10H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyBZYRNAUHOVJDQB-UHFFFAOYSA-N
XLogP2.41
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea?
The IUPAC name of 1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea (CID 166367969) is 1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea.
What is the SMILES notation for 1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea?
The canonical SMILES for 1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea is CCC1CCCC(CNC(=O)NCc2ccsc2S(N)(=O)=O)C1.
What is the InChIKey of 1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea?
The InChIKey is BZYRNAUHOVJDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-2-11-4-3-5-12(8-11)9-17-15(19)18-10-13-6-7-22-14(13)23(16,20)21/h6-7,11-12H,2-5,8-10H2,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea?
1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea has a molecular weight of 359.52 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclohexyl)methyl]-3-[(2-sulfamoylthiophen-3-yl)methyl]urea is sourced from PubChem (CID 166367969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).