3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea

C14H21ClN2O2S — CID 53497872

IUPAC3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea
SMILESCCN(CC1CCOC1)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2O2S/c1-3-17(8-11-6-7-19-9-11)14(18)16-10(2)12-4-5-13(15)20-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,18)
InChIKeyPRSDEMAYEGURMX-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.53
Rot. Bonds5

About 3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea

3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 53497872) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea
PubChem CID53497872
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea
SMILESCCN(CC1CCOC1)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2O2S/c1-3-17(8-11-6-7-19-9-11)14(18)16-10(2)12-4-5-13(15)20-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,18)
InChIKeyPRSDEMAYEGURMX-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999680
1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 94140840
1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94183002
3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999635
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid
CID 61475859
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964406
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
CID 54935393

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea (CID 53497872) is 3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea is CCN(CC1CCOC1)C(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is PRSDEMAYEGURMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-3-17(8-11-6-7-19-9-11)14(18)16-10(2)12-4-5-13(15)20-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,18).
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea?
3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 316.85 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 53497872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).