1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea

C16H18N2O2S — CID 100694552

IUPAC1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea
SMILESC[C@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1cccs1
InChIInChI=1S/C16H18N2O2S/c1-11(17-16(19)18-15-3-2-8-21-15)9-12-4-5-14-13(10-12)6-7-20-14/h2-5,8,10-11H,6-7,9H2,1H3,(H2,17,18,19)/t11-/m1/s1
InChIKeyCTUFMENOGBZKQZ-LLVKDONJSA-N
MW302.40 g/mol
LogP3.44
Rot. Bonds4

About 1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea

1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea (PubChem CID 100694552) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea
PubChem CID100694552
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea
SMILESC[C@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1cccs1
InChIInChI=1S/C16H18N2O2S/c1-11(17-16(19)18-15-3-2-8-21-15)9-12-4-5-14-13(10-12)6-7-20-14/h2-5,8,10-11H,6-7,9H2,1H3,(H2,17,18,19)/t11-/m1/s1
InChIKeyCTUFMENOGBZKQZ-LLVKDONJSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813585
1-(1,3-benzodioxol-5-yl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813586
1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
CID 100694624
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
2-chloro-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]benzamide
CID 100691959
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 91813491
3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide
CID 100692740
2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 100692416
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(4-methylsulfonylphenyl)propanamide
CID 100693287
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide
CID 100692443
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 91813507
(1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide
CID 100692970

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea (CID 100694552) is 1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea is C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1cccs1.
What is the InChIKey of 1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea?
The InChIKey is CTUFMENOGBZKQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(17-16(19)18-15-3-2-8-21-15)9-12-4-5-14-13(10-12)6-7-20-14/h2-5,8,10-11H,6-7,9H2,1H3,(H2,17,18,19)/t11-/m1/s1.
What are the key properties of 1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea?
1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea has a molecular weight of 302.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea is sourced from PubChem (CID 100694552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).