1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C14H22N2O2S — CID 111438204

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1cc(C(C)NC(=O)NCC2(O)CCC2)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-9-7-12(11(3)19-9)10(2)16-13(17)15-8-14(18)5-4-6-14/h7,10,18H,4-6,8H2,1-3H3,(H2,15,16,17)
InChIKeyQCKFQJREVFJHTI-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111438204) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111438204
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1cc(C(C)NC(=O)NCC2(O)CCC2)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-9-7-12(11(3)19-9)10(2)16-13(17)15-8-14(18)5-4-6-14/h7,10,18H,4-6,8H2,1-3H3,(H2,15,16,17)
InChIKeyQCKFQJREVFJHTI-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.64
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-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 54965220
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide
CID 86931458
(2R)-4-amino-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826866
1-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide
CID 81489633
1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119287417
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61372761
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 54910487
1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111438204) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea is Cc1cc(C(C)NC(=O)NCC2(O)CCC2)c(C)s1.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is QCKFQJREVFJHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-7-12(11(3)19-9)10(2)16-13(17)15-8-14(18)5-4-6-14/h7,10,18H,4-6,8H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 282.41 g/mol, XLogP of 2.64, 4 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-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111438204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).