(5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium

C22H24ClN2O2S+ — CID 8556067

IUPAC(5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc([C@H](NC(=O)C[NH+](C)Cc2ccc(Cl)s2)c2ccccc2)cc1
InChIInChI=1S/C22H23ClN2O2S/c1-25(14-19-12-13-20(23)28-19)15-21(26)24-22(16-6-4-3-5-7-16)17-8-10-18(27-2)11-9-17/h3-13,22H,14-15H2,1-2H3,(H,24,26)/p+1/t22-/m1/s1
InChIKeyXWSCKCYJIRSBOL-JOCHJYFZSA-O
MW415.97 g/mol
LogP3.33
Rot. Bonds8

About (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium

(5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium (PubChem CID 8556067) has the molecular formula C22H24ClN2O2S+ and a molecular weight of 415.97 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium
PubChem CID8556067
Molecular FormulaC22H24ClN2O2S+
Molecular Weight415.97 g/mol
Exact Mass415.12
IUPAC Name(5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc([C@H](NC(=O)C[NH+](C)Cc2ccc(Cl)s2)c2ccccc2)cc1
InChIInChI=1S/C22H23ClN2O2S/c1-25(14-19-12-13-20(23)28-19)15-21(26)24-22(16-6-4-3-5-7-16)17-8-10-18(27-2)11-9-17/h3-13,22H,14-15H2,1-2H3,(H,24,26)/p+1/t22-/m1/s1
InChIKeyXWSCKCYJIRSBOL-JOCHJYFZSA-O
XLogP3.33
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9294082
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8845954
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium
CID 8710968
[2-(benzhydrylamino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9048967
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8789153
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761145
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914596

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium (CID 8556067) is (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium is COc1ccc([C@H](NC(=O)C[NH+](C)Cc2ccc(Cl)s2)c2ccccc2)cc1.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is XWSCKCYJIRSBOL-JOCHJYFZSA-O. The full InChI is InChI=1S/C22H23ClN2O2S/c1-25(14-19-12-13-20(23)28-19)15-21(26)24-22(16-6-4-3-5-7-16)17-8-10-18(27-2)11-9-17/h3-13,22H,14-15H2,1-2H3,(H,24,26)/p+1/t22-/m1/s1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium?
(5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 415.97 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8556067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).