N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide

C17H19NO2S — CID 97414613

IUPACN-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
SMILESCO[C@]1(CNC(=O)c2cccc3ccccc23)CCSC1
InChIInChI=1S/C17H19NO2S/c1-20-17(9-10-21-12-17)11-18-16(19)15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,18,19)/t17-/m0/s1
InChIKeyBICFPDXMOOVYFV-KRWDZBQOSA-N
MW301.41 g/mol
LogP3.09
Rot. Bonds4

About N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide

N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 97414613) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID97414613
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
SMILESCO[C@]1(CNC(=O)c2cccc3ccccc23)CCSC1
InChIInChI=1S/C17H19NO2S/c1-20-17(9-10-21-12-17)11-18-16(19)15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,18,19)/t17-/m0/s1
InChIKeyBICFPDXMOOVYFV-KRWDZBQOSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584295
N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 97414576
N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide
CID 91816762
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
N-[(4-methoxythian-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 146078301
N-[(3-methoxythiolan-3-yl)methyl]-3-nitrobenzamide
CID 90584271
3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301
N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide
CID 71804880
1-[(3-methoxythiolan-3-yl)methyl]-3-(2-methylphenyl)urea
CID 71804937
N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
CID 90584333
1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804938
3,4,5-triethoxy-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584342

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide (CID 97414613) is N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide is CO[C@]1(CNC(=O)c2cccc3ccccc23)CCSC1.
What is the InChIKey of N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is BICFPDXMOOVYFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-17(9-10-21-12-17)11-18-16(19)15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,18,19)/t17-/m0/s1.
What are the key properties of N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide?
N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 97414613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).