1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea

C18H22N2O2S — CID 97083678

IUPAC1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea
SMILESO=C(NCc1ccsc1)N(CCO)[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H22N2O2S/c21-10-9-20(18(22)19-12-14-8-11-23-13-14)17-7-3-5-15-4-1-2-6-16(15)17/h1-2,4,6,8,11,13,17,21H,3,5,7,9-10,12H2,(H,19,22)/t17-/m0/s1
InChIKeySWFKCUHJEDHTLH-KRWDZBQOSA-N
MW330.45 g/mol
LogP3.33
Rot. Bonds5

About 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea

1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea (PubChem CID 97083678) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea
PubChem CID97083678
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea
SMILESO=C(NCc1ccsc1)N(CCO)[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H22N2O2S/c21-10-9-20(18(22)19-12-14-8-11-23-13-14)17-7-3-5-15-4-1-2-6-16(15)17/h1-2,4,6,8,11,13,17,21H,3,5,7,9-10,12H2,(H,19,22)/t17-/m0/s1
InChIKeySWFKCUHJEDHTLH-KRWDZBQOSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793383
1-(2-hydroxyethyl)-3-[(5-methylthiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793736
1-(2-hydroxyethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111794044
4-[[[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]methyl]benzoic acid
CID 122020246
3-(dicyclopropylmethyl)-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793689
4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
CID 122022296
1-(2-hydroxyethyl)-3-[(3-methyl-2-pyridinyl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97073045
3-[4-(cyanomethyl)phenyl]-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111790574
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-3-ylacetamide
CID 7688469
1-(2-hydroxyethyl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 95789313
1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97075881

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea (CID 97083678) is 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea is O=C(NCc1ccsc1)N(CCO)[C@H]1CCCc2ccccc21.
What is the InChIKey of 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea?
The InChIKey is SWFKCUHJEDHTLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-10-9-20(18(22)19-12-14-8-11-23-13-14)17-7-3-5-15-4-1-2-6-16(15)17/h1-2,4,6,8,11,13,17,21H,3,5,7,9-10,12H2,(H,19,22)/t17-/m0/s1.
What are the key properties of 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea?
1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea has a molecular weight of 330.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 97083678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).