ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide

C23H31NO2S — CID 144673562

IUPACethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide
SMILESCC.CC.CC(=O)NCC[C@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C19H19NO2S.2C2H6/c1-14(21)20-12-11-18(19-10-5-13-23-19)22-17-9-4-7-15-6-2-3-8-16(15)17;2*1-2/h2-10,13,18H,11-12H2,1H3,(H,20,21);2*1-2H3/t18-;;/m0../s1
InChIKeyCQPLJASWSIPCOT-NTEVMMBTSA-N
MW385.57 g/mol
LogP6.60
Rot. Bonds6

About ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide

ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide (PubChem CID 144673562) has the molecular formula C23H31NO2S and a molecular weight of 385.57 g/mol. Its IUPAC name is ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide
PubChem CID144673562
Molecular FormulaC23H31NO2S
Molecular Weight385.57 g/mol
Exact Mass385.21
IUPAC Nameethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide
SMILESCC.CC.CC(=O)NCC[C@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C19H19NO2S.2C2H6/c1-14(21)20-12-11-18(19-10-5-13-23-19)22-17-9-4-7-15-6-2-3-8-16(15)17;2*1-2/h2-10,13,18H,11-12H2,1H3,(H,20,21);2*1-2H3/t18-;;/m0../s1
InChIKeyCQPLJASWSIPCOT-NTEVMMBTSA-N
XLogP6.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.57
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633
(Z)-but-2-enedioic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 23649462
(3S)-3-naphthalen-1-yloxy-3-thiophen-2-yl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 57383548
2-hydroxy-2-phenylacetic acid;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 24816199
3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine
CID 151174384
1,3-dimethyl-1,3-bis(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)urea
CID 54756197
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamoyl iodide
CID 88909271
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 159846692
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 68611917
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide
CID 169490797
4-[methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]amino]-4-oxobutanoic acid
CID 86278283

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide?
The IUPAC name of ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide (CID 144673562) is ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide is CC.CC.CC(=O)NCC[C@H](Oc1cccc2ccccc12)c1cccs1.
What is the InChIKey of ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide?
The InChIKey is CQPLJASWSIPCOT-NTEVMMBTSA-N. The full InChI is InChI=1S/C19H19NO2S.2C2H6/c1-14(21)20-12-11-18(19-10-5-13-23-19)22-17-9-4-7-15-6-2-3-8-16(15)17;2*1-2/h2-10,13,18H,11-12H2,1H3,(H,20,21);2*1-2H3/t18-;;/m0../s1.
What are the key properties of ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide?
ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide has a molecular weight of 385.57 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 144673562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).