1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea

C16H26N2O3S — CID 111509560

IUPAC1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
SMILESCOC1(C)CC(NC(=O)NCC(C)(O)c2ccsc2)C1(C)C
InChIInChI=1S/C16H26N2O3S/c1-14(2)12(8-16(14,4)21-5)18-13(19)17-10-15(3,20)11-6-7-22-9-11/h6-7,9,12,20H,8,10H2,1-5H3,(H2,17,18,19)
InChIKeyFFMYDTLNXWBLQP-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.46
Rot. Bonds5

About 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea (PubChem CID 111509560) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
PubChem CID111509560
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
SMILESCOC1(C)CC(NC(=O)NCC(C)(O)c2ccsc2)C1(C)C
InChIInChI=1S/C16H26N2O3S/c1-14(2)12(8-16(14,4)21-5)18-13(19)17-10-15(3,20)11-6-7-22-9-11/h6-7,9,12,20H,8,10H2,1-5H3,(H2,17,18,19)
InChIKeyFFMYDTLNXWBLQP-UHFFFAOYSA-N
XLogP2.46
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 111453966
2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide
CID 71979797
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97087383
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
CID 98787633
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 111450384
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-pentylurea
CID 111450359
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
CID 109477004
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea (CID 111509560) is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea is COC1(C)CC(NC(=O)NCC(C)(O)c2ccsc2)C1(C)C.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
The InChIKey is FFMYDTLNXWBLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-14(2)12(8-16(14,4)21-5)18-13(19)17-10-15(3,20)11-6-7-22-9-11/h6-7,9,12,20H,8,10H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea has a molecular weight of 326.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea is sourced from PubChem (CID 111509560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).