2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide

C22H23N3O2S — CID 8769587

IUPAC2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide
SMILESCCc1ccc([C@@H](NCC(=O)NC(=O)Nc2ccccc2)c2cccs2)cc1
InChIInChI=1S/C22H23N3O2S/c1-2-16-10-12-17(13-11-16)21(19-9-6-14-28-19)23-15-20(26)25-22(27)24-18-7-4-3-5-8-18/h3-14,21,23H,2,15H2,1H3,(H2,24,25,26,27)/t21-/m1/s1
InChIKeyFWWDDJAXWPQHIU-OAQYLSRUSA-N
MW393.51 g/mol
LogP4.34
Rot. Bonds7

About 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide

2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide (PubChem CID 8769587) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide
PubChem CID8769587
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide
SMILESCCc1ccc([C@@H](NCC(=O)NC(=O)Nc2ccccc2)c2cccs2)cc1
InChIInChI=1S/C22H23N3O2S/c1-2-16-10-12-17(13-11-16)21(19-9-6-14-28-19)23-15-20(26)25-22(27)24-18-7-4-3-5-8-18/h3-14,21,23H,2,15H2,1H3,(H2,24,25,26,27)/t21-/m1/s1
InChIKeyFWWDDJAXWPQHIU-OAQYLSRUSA-N
XLogP4.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetyl]carbamate
CID 8769482
2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8769647
4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 9136177
N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126196
2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8769028
N-(methylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052211
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
N-[2-(ethylamino)-2-oxoethyl]-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136383
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8996748

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide (CID 8769587) is 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide is CCc1ccc([C@@H](NCC(=O)NC(=O)Nc2ccccc2)c2cccs2)cc1.
What is the InChIKey of 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide?
The InChIKey is FWWDDJAXWPQHIU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-2-16-10-12-17(13-11-16)21(19-9-6-14-28-19)23-15-20(26)25-22(27)24-18-7-4-3-5-8-18/h3-14,21,23H,2,15H2,1H3,(H2,24,25,26,27)/t21-/m1/s1.
What are the key properties of 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide?
2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 8769587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).