1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea

C18H22N2O3S — CID 97087378

IUPAC1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOc1cccc2c1CC[C@H]2NC(=O)NC[C@](C)(O)c1cccs1
InChIInChI=1S/C18H22N2O3S/c1-18(22,16-7-4-10-24-16)11-19-17(21)20-14-9-8-13-12(14)5-3-6-15(13)23-2/h3-7,10,14,22H,8-9,11H2,1-2H3,(H2,19,20,21)/t14-,18+/m1/s1
InChIKeyLFBXSJWWBURGGL-KDOFPFPSSA-N
MW346.45 g/mol
LogP2.95
Rot. Bonds5

About 1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea

1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 97087378) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID97087378
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOc1cccc2c1CC[C@H]2NC(=O)NC[C@](C)(O)c1cccs1
InChIInChI=1S/C18H22N2O3S/c1-18(22,16-7-4-10-24-16)11-19-17(21)20-14-9-8-13-12(14)5-3-6-15(13)23-2/h3-7,10,14,22H,8-9,11H2,1-2H3,(H2,19,20,21)/t14-,18+/m1/s1
InChIKeyLFBXSJWWBURGGL-KDOFPFPSSA-N
XLogP2.95
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97087383
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97225938
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide;hydrochloride
CID 120591605
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-4,4-dimethyl-2-(methylamino)pentanamide
CID 166235164
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443293
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 96567011

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea (CID 97087378) is 1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea is COc1cccc2c1CC[C@H]2NC(=O)NC[C@](C)(O)c1cccs1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is LFBXSJWWBURGGL-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(22,16-7-4-10-24-16)11-19-17(21)20-14-9-8-13-12(14)5-3-6-15(13)23-2/h3-7,10,14,22H,8-9,11H2,1-2H3,(H2,19,20,21)/t14-,18+/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 346.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 97087378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).