4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide

C19H23N3O3S — CID 38744358

IUPAC4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2cccs2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(23)21-16(17-5-4-10-26-17)11-18(24)22(3)12-14-6-8-15(9-7-14)19(25)20-2/h4-10,16H,11-12H2,1-3H3,(H,20,25)(H,21,23)/t16-/m1/s1
InChIKeyUKFBQPOFADBYTQ-MRXNPFEDSA-N
MW373.48 g/mol
LogP2.33
Rot. Bonds7

About 4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide

4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 38744358) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID38744358
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2cccs2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(23)21-16(17-5-4-10-26-17)11-18(24)22(3)12-14-6-8-15(9-7-14)19(25)20-2/h4-10,16H,11-12H2,1-3H3,(H,20,25)(H,21,23)/t16-/m1/s1
InChIKeyUKFBQPOFADBYTQ-MRXNPFEDSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42011765
(3R)-3-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 41303482
(3S)-3-acetamido-N-[(3-chlorophenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 99865964
3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 51311545
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]acetate
CID 43409775
(3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 94017825
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46518980
N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 38746463
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide
CID 42931784
(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 41435480
(3S)-3-acetamido-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide
CID 42010956

Frequently Asked Questions

What is the IUPAC name of 4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide (CID 38744358) is 4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2cccs2)cc1.
What is the InChIKey of 4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is UKFBQPOFADBYTQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(23)21-16(17-5-4-10-26-17)11-18(24)22(3)12-14-6-8-15(9-7-14)19(25)20-2/h4-10,16H,11-12H2,1-3H3,(H,20,25)(H,21,23)/t16-/m1/s1.
What are the key properties of 4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 38744358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).