1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

C14H22N2O2S — CID 97417592

IUPAC1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCO[C@@H](CNC(=O)NC1CCCC1)c1ccc(C)s1
InChIInChI=1S/C14H22N2O2S/c1-10-7-8-13(19-10)12(18-2)9-15-14(17)16-11-5-3-4-6-11/h7-8,11-12H,3-6,9H2,1-2H3,(H2,15,16,17)/t12-/m0/s1
InChIKeyPJQZNRARIHFGIH-LBPRGKRZSA-N
MW282.41 g/mol
LogP2.99
Rot. Bonds5

About 1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (PubChem CID 97417592) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
PubChem CID97417592
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCO[C@@H](CNC(=O)NC1CCCC1)c1ccc(C)s1
InChIInChI=1S/C14H22N2O2S/c1-10-7-8-13(19-10)12(18-2)9-15-14(17)16-11-5-3-4-6-11/h7-8,11-12H,3-6,9H2,1-2H3,(H2,15,16,17)/t12-/m0/s1
InChIKeyPJQZNRARIHFGIH-LBPRGKRZSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (CID 97417592) is 1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is CO[C@@H](CNC(=O)NC1CCCC1)c1ccc(C)s1.
What is the InChIKey of 1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The InChIKey is PJQZNRARIHFGIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-7-8-13(19-10)12(18-2)9-15-14(17)16-11-5-3-4-6-11/h7-8,11-12H,3-6,9H2,1-2H3,(H2,15,16,17)/t12-/m0/s1.
What are the key properties of 1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea has a molecular weight of 282.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 97417592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).