1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea

C17H29N3O2S — CID 110933262

IUPAC1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea
SMILESCCN(CC)C(CNC(=O)NC1CCCCC1O)c1ccsc1
InChIInChI=1S/C17H29N3O2S/c1-3-20(4-2)15(13-9-10-23-12-13)11-18-17(22)19-14-7-5-6-8-16(14)21/h9-10,12,14-16,21H,3-8,11H2,1-2H3,(H2,18,19,22)
InChIKeySNBLQMRJFZMUJX-UHFFFAOYSA-N
MW339.51 g/mol
LogP2.73
Rot. Bonds7

About 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea

1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea (PubChem CID 110933262) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea
PubChem CID110933262
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea
SMILESCCN(CC)C(CNC(=O)NC1CCCCC1O)c1ccsc1
InChIInChI=1S/C17H29N3O2S/c1-3-20(4-2)15(13-9-10-23-12-13)11-18-17(22)19-14-7-5-6-8-16(14)21/h9-10,12,14-16,21H,3-8,11H2,1-2H3,(H2,18,19,22)
InChIKeySNBLQMRJFZMUJX-UHFFFAOYSA-N
XLogP2.73
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 119849788
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46434571
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60510595
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161217
1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161216
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51092805
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 94176470
ethyl 1-[N-[2-(diethylamino)-2-thiophen-3-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157021
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307029

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea (CID 110933262) is 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea is CCN(CC)C(CNC(=O)NC1CCCCC1O)c1ccsc1.
What is the InChIKey of 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea?
The InChIKey is SNBLQMRJFZMUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-3-20(4-2)15(13-9-10-23-12-13)11-18-17(22)19-14-7-5-6-8-16(14)21/h9-10,12,14-16,21H,3-8,11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea?
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea has a molecular weight of 339.51 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 110933262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).