1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea

C16H18N2O2S — CID 97157179

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
SMILESC[C@@H](Cc1ccsc1)NC(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C16H18N2O2S/c1-11(6-12-4-5-21-10-12)17-16(19)18-15-3-2-13-8-20-9-14(13)7-15/h2-5,7,10-11H,6,8-9H2,1H3,(H2,17,18,19)/t11-/m0/s1
InChIKeyZWEIGXJXJMCDHQ-NSHDSACASA-N
MW302.40 g/mol
LogP3.53
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea

1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea (PubChem CID 97157179) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
PubChem CID97157179
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
SMILESC[C@@H](Cc1ccsc1)NC(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C16H18N2O2S/c1-11(6-12-4-5-21-10-12)17-16(19)18-15-3-2-13-8-20-9-14(13)7-15/h2-5,7,10-11H,6,8-9H2,1H3,(H2,17,18,19)/t11-/m0/s1
InChIKeyZWEIGXJXJMCDHQ-NSHDSACASA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea with MolForge

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea
CID 118767148
N-(1-thiophen-3-ylpropan-2-yl)morpholine-4-carboxamide
CID 115589977
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 95768876
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 94755950
4-hydroxy-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61475780
(2R)-3,3-dimethyl-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 103927769
2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 66165511
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 79805381
1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 137497942

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea (CID 97157179) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea is C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
The InChIKey is ZWEIGXJXJMCDHQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(6-12-4-5-21-10-12)17-16(19)18-15-3-2-13-8-20-9-14(13)7-15/h2-5,7,10-11H,6,8-9H2,1H3,(H2,17,18,19)/t11-/m0/s1.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea has a molecular weight of 302.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea is sourced from PubChem (CID 97157179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).