1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea

C17H20N2O2S — CID 97042716

IUPAC1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC[C@@]1(O)CCc2ccccc2C1
InChIInChI=1S/C17H20N2O2S/c20-16(18-11-15-6-3-9-22-15)19-12-17(21)8-7-13-4-1-2-5-14(13)10-17/h1-6,9,21H,7-8,10-12H2,(H2,18,19,20)/t17-/m1/s1
InChIKeyZZRXCCMRUCDGRW-QGZVFWFLSA-N
MW316.43 g/mol
LogP2.47
Rot. Bonds4

About 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea

1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 97042716) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID97042716
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC[C@@]1(O)CCc2ccccc2C1
InChIInChI=1S/C17H20N2O2S/c20-16(18-11-15-6-3-9-22-15)19-12-17(21)8-7-13-4-1-2-5-14(13)10-17/h1-6,9,21H,7-8,10-12H2,(H2,18,19,20)/t17-/m1/s1
InChIKeyZZRXCCMRUCDGRW-QGZVFWFLSA-N
XLogP2.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97042696
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90581131
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea
CID 97042727
1-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 154581683
1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea
CID 90581348
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide
CID 97042620
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide
CID 97042651
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042609
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042707

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea (CID 97042716) is 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NC[C@@]1(O)CCc2ccccc2C1.
What is the InChIKey of 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ZZRXCCMRUCDGRW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-16(18-11-15-6-3-9-22-15)19-12-17(21)8-7-13-4-1-2-5-14(13)10-17/h1-6,9,21H,7-8,10-12H2,(H2,18,19,20)/t17-/m1/s1.
What are the key properties of 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 316.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 97042716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).