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

C18H22N2O3S — CID 97087383

IUPAC1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOc1cccc2c1CC[C@@H]2NC(=O)NC[C@@](C)(O)c1ccsc1
InChIInChI=1S/C18H22N2O3S/c1-18(22,12-8-9-24-10-12)11-19-17(21)20-15-7-6-14-13(15)4-3-5-16(14)23-2/h3-5,8-10,15,22H,6-7,11H2,1-2H3,(H2,19,20,21)/t15-,18+/m0/s1
InChIKeyIHMHVVHEFLIOCK-MAUKXSAKSA-N
MW346.45 g/mol
LogP2.95
Rot. Bonds5

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

1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 97087383) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID97087383
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOc1cccc2c1CC[C@@H]2NC(=O)NC[C@@](C)(O)c1ccsc1
InChIInChI=1S/C18H22N2O3S/c1-18(22,12-8-9-24-10-12)11-19-17(21)20-15-7-6-14-13(15)4-3-5-16(14)23-2/h3-5,8-10,15,22H,6-7,11H2,1-2H3,(H2,19,20,21)/t15-,18+/m0/s1
InChIKeyIHMHVVHEFLIOCK-MAUKXSAKSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea (CID 97087383) is 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea is COc1cccc2c1CC[C@@H]2NC(=O)NC[C@@](C)(O)c1ccsc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is IHMHVVHEFLIOCK-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(22,12-8-9-24-10-12)11-19-17(21)20-15-7-6-14-13(15)4-3-5-16(14)23-2/h3-5,8-10,15,22H,6-7,11H2,1-2H3,(H2,19,20,21)/t15-,18+/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-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-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 97087383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).