(3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide

C15H22N2O3S — CID 124839099

IUPAC(3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@H](CC(=O)N[C@@H](C)[C@H]1CCCO1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-10(13-5-3-7-20-13)16-15(19)9-12(17-11(2)18)14-6-4-8-21-14/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3,(H,16,19)(H,17,18)/t10-,12+,13+/m0/s1
InChIKeyADUCFPRXFRHHEQ-CYZMBNFOSA-N
MW310.42 g/mol
LogP2.00
Rot. Bonds6

About (3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide

(3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 124839099) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide
PubChem CID124839099
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@H](CC(=O)N[C@@H](C)[C@H]1CCCO1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-10(13-5-3-7-20-13)16-15(19)9-12(17-11(2)18)14-6-4-8-21-14/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3,(H,16,19)(H,17,18)/t10-,12+,13+/m0/s1
InChIKeyADUCFPRXFRHHEQ-CYZMBNFOSA-N
XLogP2.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide
CID 35262137
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 100840537
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95134541
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
(3R)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
CID 94116517
(3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
CID 94116515
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
(3S)-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124699769
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
(3R)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 41358102

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide (CID 124839099) is (3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide is CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@H]1CCCO1)c1cccs1.
What is the InChIKey of (3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is ADUCFPRXFRHHEQ-CYZMBNFOSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(13-5-3-7-20-13)16-15(19)9-12(17-11(2)18)14-6-4-8-21-14/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3,(H,16,19)(H,17,18)/t10-,12+,13+/m0/s1.
What are the key properties of (3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide?
(3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 124839099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).