1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea

C16H18N2OS — CID 3496710

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NC1Cc2ccccc2C1
InChIInChI=1S/C16H18N2OS/c19-16(17-8-7-15-6-3-9-20-15)18-14-10-12-4-1-2-5-13(12)11-14/h1-6,9,14H,7-8,10-11H2,(H2,17,18,19)
InChIKeyZXYUQNCBFAQSAC-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.76
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea

1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 3496710) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID3496710
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NC1Cc2ccccc2C1
InChIInChI=1S/C16H18N2OS/c19-16(17-8-7-15-6-3-9-20-15)18-14-10-12-4-1-2-5-13(12)11-14/h1-6,9,14H,7-8,10-11H2,(H2,17,18,19)
InChIKeyZXYUQNCBFAQSAC-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-thiophen-2-ylethyl)urea
CID 51302009
4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide
CID 16614679
1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 110706626
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270428
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea
CID 75522852
4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677737
1-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 125137586
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
(3S)-2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 33119829
3-methyl-4-(2-thiophen-2-ylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66250926
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea (CID 3496710) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)NC1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is ZXYUQNCBFAQSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(17-8-7-15-6-3-9-20-15)18-14-10-12-4-1-2-5-13(12)11-14/h1-6,9,14H,7-8,10-11H2,(H2,17,18,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 286.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 3496710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).