1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea

C18H24N2O3S — CID 111423659

IUPAC1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CNC(=O)NCC(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H24N2O3S/c1-12(2)23-15-6-4-5-14(9-15)16(21)10-19-18(22)20-11-17-13(3)7-8-24-17/h4-9,12,16,21H,10-11H2,1-3H3,(H2,19,20,22)
InChIKeyVTPJCBGHYCLVRT-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.38
Rot. Bonds7

About 1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea

1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 111423659) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID111423659
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CNC(=O)NCC(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H24N2O3S/c1-12(2)23-15-6-4-5-14(9-15)16(21)10-19-18(22)20-11-17-13(3)7-8-24-17/h4-9,12,16,21H,10-11H2,1-3H3,(H2,19,20,22)
InChIKeyVTPJCBGHYCLVRT-UHFFFAOYSA-N
XLogP3.38
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111423771
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 110893691
1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(5-methylthiophen-2-yl)urea
CID 111486770
2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 71968834
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide
CID 111423693
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33420120
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 111422863
2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 97227834
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 111423746

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea (CID 111423659) is 1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea is Cc1ccsc1CNC(=O)NCC(O)c1cccc(OC(C)C)c1.
What is the InChIKey of 1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is VTPJCBGHYCLVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-12(2)23-15-6-4-5-14(9-15)16(21)10-19-18(22)20-11-17-13(3)7-8-24-17/h4-9,12,16,21H,10-11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 348.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 111423659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).