N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide

C19H24N2O2S — CID 96540062

IUPACN-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
SMILESC[C@H](NC1(CNC(=O)c2ccsc2)CCOCC1)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-15(16-5-3-2-4-6-16)21-19(8-10-23-11-9-19)14-20-18(22)17-7-12-24-13-17/h2-7,12-13,15,21H,8-11,14H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyLKQRTQSKMULRMX-HNNXBMFYSA-N
MW344.48 g/mol
LogP3.38
Rot. Bonds6

About N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide

N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide (PubChem CID 96540062) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
PubChem CID96540062
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
SMILESC[C@H](NC1(CNC(=O)c2ccsc2)CCOCC1)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-15(16-5-3-2-4-6-16)21-19(8-10-23-11-9-19)14-20-18(22)17-7-12-24-13-17/h2-7,12-13,15,21H,8-11,14H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyLKQRTQSKMULRMX-HNNXBMFYSA-N
XLogP3.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide with MolForge

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Related Compounds

N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540063
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 96539984
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-2H-triazole-4-carboxamide
CID 96539972
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 75463887
2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide
CID 124625809
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75463886
N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 104630584
N-[3-oxo-3-[[4-(1-phenylethylamino)oxan-4-yl]methylamino]propyl]cyclohexanecarboxamide
CID 86947103
2-methyl-1-(5-methylhexan-2-yl)-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine
CID 111828695
2-methyl-1-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-3-prop-2-enylguanidine
CID 111826452

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide (CID 96540062) is N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide is C[C@H](NC1(CNC(=O)c2ccsc2)CCOCC1)c1ccccc1.
What is the InChIKey of N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide?
The InChIKey is LKQRTQSKMULRMX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15(16-5-3-2-4-6-16)21-19(8-10-23-11-9-19)14-20-18(22)17-7-12-24-13-17/h2-7,12-13,15,21H,8-11,14H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide?
N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 96540062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).