1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea

C17H22N2O2S — CID 110895795

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCc1cc(C(C)NC(=O)NC(CO)c2ccccc2)c(C)s1
InChIInChI=1S/C17H22N2O2S/c1-11-9-15(13(3)22-11)12(2)18-17(21)19-16(10-20)14-7-5-4-6-8-14/h4-9,12,16,20H,10H2,1-3H3,(H2,18,19,21)
InChIKeyLNESYRBGWZMQCX-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.46
Rot. Bonds5

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 110895795) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID110895795
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCc1cc(C(C)NC(=O)NC(CO)c2ccccc2)c(C)s1
InChIInChI=1S/C17H22N2O2S/c1-11-9-15(13(3)22-11)12(2)18-17(21)19-16(10-20)14-7-5-4-6-8-14/h4-9,12,16,20H,10H2,1-3H3,(H2,18,19,21)
InChIKeyLNESYRBGWZMQCX-UHFFFAOYSA-N
XLogP3.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111840994
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107826865
1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517893
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43110308
(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566505
1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895772
(2R)-4-amino-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826866
1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea
CID 38885273
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75448635
1-[(1S)-1-(3-cyanophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969459

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 110895795) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is Cc1cc(C(C)NC(=O)NC(CO)c2ccccc2)c(C)s1.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is LNESYRBGWZMQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11-9-15(13(3)22-11)12(2)18-17(21)19-16(10-20)14-7-5-4-6-8-14/h4-9,12,16,20H,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 318.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 110895795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).