(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide

C19H25N3O2S — CID 29418275

IUPAC(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-14(23)21-16(18-10-7-11-25-18)12-19(24)20-13-17(22(2)3)15-8-5-4-6-9-15/h4-11,16-17H,12-13H2,1-3H3,(H,20,24)(H,21,23)/t16-,17+/m0/s1
InChIKeyMIDNVKZXBVRWNO-DLBZAZTESA-N
MW359.50 g/mol
LogP2.73
Rot. Bonds8

About (3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide

(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide (PubChem CID 29418275) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide
PubChem CID29418275
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-14(23)21-16(18-10-7-11-25-18)12-19(24)20-13-17(22(2)3)15-8-5-4-6-9-15/h4-11,16-17H,12-13H2,1-3H3,(H,20,24)(H,21,23)/t16-,17+/m0/s1
InChIKeyMIDNVKZXBVRWNO-DLBZAZTESA-N
XLogP2.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
CID 43006702
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
(2S)-4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-hydroxybutanoic acid
CID 107833913
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061
1-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449898
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide (CID 29418275) is (3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide is CC(=O)N[C@@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)c1cccs1.
What is the InChIKey of (3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is MIDNVKZXBVRWNO-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14(23)21-16(18-10-7-11-25-18)12-19(24)20-13-17(22(2)3)15-8-5-4-6-9-15/h4-11,16-17H,12-13H2,1-3H3,(H,20,24)(H,21,23)/t16-,17+/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide?
(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 359.50 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 29418275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).