(3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide

C16H20N2O3S — CID 94017825

IUPAC(3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@H](CC(=O)N(C)Cc1ccc(C)o1)c1cccs1
InChIInChI=1S/C16H20N2O3S/c1-11-6-7-13(21-11)10-18(3)16(20)9-14(17-12(2)19)15-5-4-8-22-15/h4-8,14H,9-10H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyKRVXZZFBYKZIJY-CQSZACIVSA-N
MW320.41 g/mol
LogP2.88
Rot. Bonds6

About (3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide

(3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 94017825) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID94017825
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@H](CC(=O)N(C)Cc1ccc(C)o1)c1cccs1
InChIInChI=1S/C16H20N2O3S/c1-11-6-7-13(21-11)10-18(3)16(20)9-14(17-12(2)19)15-5-4-8-22-15/h4-8,14H,9-10H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyKRVXZZFBYKZIJY-CQSZACIVSA-N
XLogP2.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-[(3-chlorophenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 99865964
4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide
CID 38744358
(3S)-3-acetamido-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42011765
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]acetate
CID 43409775
3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 51311545
(3R)-3-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 41303482
3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide
CID 42931784
[3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid
CID 67423103
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46518980
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115286690
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
CID 86912332

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide (CID 94017825) is (3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide is CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(C)o1)c1cccs1.
What is the InChIKey of (3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is KRVXZZFBYKZIJY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-6-7-13(21-11)10-18(3)16(20)9-14(17-12(2)19)15-5-4-8-22-15/h4-8,14H,9-10H2,1-3H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide?
(3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 94017825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).