1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea

C14H18N2O2S — CID 94179313

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
SMILESC#CCNC(=O)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C14H18N2O2S/c1-2-7-15-14(17)16(10-12-5-3-8-18-12)11-13-6-4-9-19-13/h1,4,6,9,12H,3,5,7-8,10-11H2,(H,15,17)/t12-/m1/s1
InChIKeyIOGWSDQXZWUVRU-GFCCVEGCSA-N
MW278.38 g/mol
LogP2.07
Rot. Bonds5

About 1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea

1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 94179313) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
PubChem CID94179313
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
SMILESC#CCNC(=O)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C14H18N2O2S/c1-2-7-15-14(17)16(10-12-5-3-8-18-12)11-13-6-4-9-19-13/h1,4,6,9,12H,3,5,7-8,10-11H2,(H,15,17)/t12-/m1/s1
InChIKeyIOGWSDQXZWUVRU-GFCCVEGCSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-ynylacetamide
CID 8926089
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
3-[2-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 87000019
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
3-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528963
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
N-benzyl-2-[ethylcarbamoyl(oxolan-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5164819
3-[(2-cyclopentyloxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 55929307
N-benzyl-2-[ethylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 7225834
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
3-[[2-(difluoromethoxy)phenyl]methyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 87003192
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea (CID 94179313) is 1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea is C#CCNC(=O)N(Cc1cccs1)C[C@H]1CCCO1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is IOGWSDQXZWUVRU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-7-15-14(17)16(10-12-5-3-8-18-12)11-13-6-4-9-19-13/h1,4,6,9,12H,3,5,7-8,10-11H2,(H,15,17)/t12-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea?
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 278.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 94179313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).