1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

C13H19ClN2O3S — CID 110936566

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2O3S/c1-9(10-2-3-11(14)20-10)16-12(17)15-8-13(18)4-6-19-7-5-13/h2-3,9,18H,4-8H2,1H3,(H2,15,16,17)
InChIKeyCGSOLQRSNQBKKU-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.30
Rot. Bonds4

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea (PubChem CID 110936566) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
PubChem CID110936566
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2O3S/c1-9(10-2-3-11(14)20-10)16-12(17)15-8-13(18)4-6-19-7-5-13/h2-3,9,18H,4-8H2,1H3,(H2,15,16,17)
InChIKeyCGSOLQRSNQBKKU-UHFFFAOYSA-N
XLogP2.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide
CID 113280622
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464
1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936623
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039019
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95969362
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid
CID 61470647
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 61470581
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea (CID 110936566) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea is CC(NC(=O)NCC1(O)CCOCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The InChIKey is CGSOLQRSNQBKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9(10-2-3-11(14)20-10)16-12(17)15-8-13(18)4-6-19-7-5-13/h2-3,9,18H,4-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea has a molecular weight of 318.83 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea is sourced from PubChem (CID 110936566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).