N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C20H33NO2S — CID 7714420

IUPACN-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)[C@@H](C)c1cccs1
InChIInChI=1S/C20H33NO2S/c1-15(2)20(10-12-23-19(5,6)14-20)9-11-21(17(4)22)16(3)18-8-7-13-24-18/h7-8,13,15-16H,9-12,14H2,1-6H3/t16-,20-/m0/s1
InChIKeyBZQNDPCRIURTJK-JXFKEZNVSA-N
MW351.56 g/mol
LogP5.28
Rot. Bonds6

About N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 7714420) has the molecular formula C20H33NO2S and a molecular weight of 351.56 g/mol. Its IUPAC name is N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID7714420
Molecular FormulaC20H33NO2S
Molecular Weight351.56 g/mol
Exact Mass351.22
IUPAC NameN-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)[C@@H](C)c1cccs1
InChIInChI=1S/C20H33NO2S/c1-15(2)20(10-12-23-19(5,6)14-20)9-11-21(17(4)22)16(3)18-8-7-13-24-18/h7-8,13,15-16H,9-12,14H2,1-6H3/t16-,20-/m0/s1
InChIKeyBZQNDPCRIURTJK-JXFKEZNVSA-N
XLogP5.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.56
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
CID 7707544
(1R)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
CID 7707548
N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 170327266
N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide
CID 3471275
2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7083788
[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium
CID 7473648
N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 3838226
1-methyl-3-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 97224609
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
N-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 115575769
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
2-(1-aminocyclohexyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64678950

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 7714420) is N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is CC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)[C@@H](C)c1cccs1.
What is the InChIKey of N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is BZQNDPCRIURTJK-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H33NO2S/c1-15(2)20(10-12-23-19(5,6)14-20)9-11-21(17(4)22)16(3)18-8-7-13-24-18/h7-8,13,15-16H,9-12,14H2,1-6H3/t16-,20-/m0/s1.
What are the key properties of N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 351.56 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 7714420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).