(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide

C16H19N3O3S — CID 38535821

IUPAC(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ncccc1CNC(=O)C[C@H](NC(C)=O)c1cccs1
InChIInChI=1S/C16H19N3O3S/c1-11(20)19-13(14-6-4-8-23-14)9-15(21)18-10-12-5-3-7-17-16(12)22-2/h3-8,13H,9-10H2,1-2H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyOCXJBEQVTJEEDT-ZDUSSCGKSA-N
MW333.41 g/mol
LogP2.04
Rot. Bonds7

About (3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide

(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 38535821) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID38535821
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ncccc1CNC(=O)C[C@H](NC(C)=O)c1cccs1
InChIInChI=1S/C16H19N3O3S/c1-11(20)19-13(14-6-4-8-23-14)9-15(21)18-10-12-5-3-7-17-16(12)22-2/h3-8,13H,9-10H2,1-2H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyOCXJBEQVTJEEDT-ZDUSSCGKSA-N
XLogP2.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-acetamido-3-thiophen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 26127796
3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
(3R)-3-acetamido-N-(isoquinolin-1-ylmethyl)-3-thiophen-2-ylpropanamide
CID 26072257
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 71894859
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate
CID 94172468
(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 41435480
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903975

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide (CID 38535821) is (3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide is COc1ncccc1CNC(=O)C[C@H](NC(C)=O)c1cccs1.
What is the InChIKey of (3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is OCXJBEQVTJEEDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11(20)19-13(14-6-4-8-23-14)9-15(21)18-10-12-5-3-7-17-16(12)22-2/h3-8,13H,9-10H2,1-2H3,(H,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 333.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 38535821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).