N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide

C19H21N3OS — CID 99945826

IUPACN-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCc1ccc([C@@H](NC(=O)CCc2ccnn2C)c2cccs2)cc1
InChIInChI=1S/C19H21N3OS/c1-14-5-7-15(8-6-14)19(17-4-3-13-24-17)21-18(23)10-9-16-11-12-20-22(16)2/h3-8,11-13,19H,9-10H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeySTFGDVQOFXBUOS-LJQANCHMSA-N
MW339.46 g/mol
LogP3.63
Rot. Bonds6

About N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 99945826) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID99945826
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCc1ccc([C@@H](NC(=O)CCc2ccnn2C)c2cccs2)cc1
InChIInChI=1S/C19H21N3OS/c1-14-5-7-15(8-6-14)19(17-4-3-13-24-17)21-18(23)10-9-16-11-12-20-22(16)2/h3-8,11-13,19H,9-10H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeySTFGDVQOFXBUOS-LJQANCHMSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 8854781
3-(2-methoxyphenyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 24613748
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917
3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
CID 24665793
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 24664742
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8869335
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 41038604
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 36974759

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 99945826) is N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide is Cc1ccc([C@@H](NC(=O)CCc2ccnn2C)c2cccs2)cc1.
What is the InChIKey of N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is STFGDVQOFXBUOS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-5-7-15(8-6-14)19(17-4-3-13-24-17)21-18(23)10-9-16-11-12-20-22(16)2/h3-8,11-13,19H,9-10H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 339.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 99945826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).