1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea

C17H22N2O4S2 — CID 110315206

IUPAC1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea
SMILESO=C(NCC(c1ccco1)S(=O)(=O)c1cccs1)NC1CCCCC1
InChIInChI=1S/C17H22N2O4S2/c20-17(19-13-6-2-1-3-7-13)18-12-15(14-8-4-10-23-14)25(21,22)16-9-5-11-24-16/h4-5,8-11,13,15H,1-3,6-7,12H2,(H2,18,19,20)
InChIKeyIARYVCJIPCCSMS-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.49
Rot. Bonds6

About 1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea

1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea (PubChem CID 110315206) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea
PubChem CID110315206
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea
SMILESO=C(NCC(c1ccco1)S(=O)(=O)c1cccs1)NC1CCCCC1
InChIInChI=1S/C17H22N2O4S2/c20-17(19-13-6-2-1-3-7-13)18-12-15(14-8-4-10-23-14)25(21,22)16-9-5-11-24-16/h4-5,8-11,13,15H,1-3,6-7,12H2,(H2,18,19,20)
InChIKeyIARYVCJIPCCSMS-UHFFFAOYSA-N
XLogP3.49
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 7268303
N'-cyclohexyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584643
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 7268311
4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 7268351
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 27569543
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584641
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N'-cycloheptyloxamide
CID 27555026
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 40778166
N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40775052
N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152883
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(3-phenylpropyl)oxamide
CID 27558122

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea (CID 110315206) is 1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea is O=C(NCC(c1ccco1)S(=O)(=O)c1cccs1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea?
The InChIKey is IARYVCJIPCCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c20-17(19-13-6-2-1-3-7-13)18-12-15(14-8-4-10-23-14)25(21,22)16-9-5-11-24-16/h4-5,8-11,13,15H,1-3,6-7,12H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea?
1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea has a molecular weight of 382.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea is sourced from PubChem (CID 110315206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).