N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

C23H26N2O2S — CID 17427445

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCOc1ccc(C(NC(=O)CN(C)Cc2sccc2C)c2ccccc2)cc1
InChIInChI=1S/C23H26N2O2S/c1-17-13-14-28-21(17)15-25(2)16-22(26)24-23(18-7-5-4-6-8-18)19-9-11-20(27-3)12-10-19/h4-14,23H,15-16H2,1-3H3,(H,24,26)
InChIKeyHTWUTLMUXRVJKC-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.40
Rot. Bonds8

About N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (PubChem CID 17427445) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
PubChem CID17427445
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCOc1ccc(C(NC(=O)CN(C)Cc2sccc2C)c2ccccc2)cc1
InChIInChI=1S/C23H26N2O2S/c1-17-13-14-28-21(17)15-25(2)16-22(26)24-23(18-7-5-4-6-8-18)19-9-11-20(27-3)12-10-19/h4-14,23H,15-16H2,1-3H3,(H,24,26)
InChIKeyHTWUTLMUXRVJKC-UHFFFAOYSA-N
XLogP4.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 17492398
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 51226646
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8692831
3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911529
N-(4-methoxyphenyl)-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 9434073
N-benzhydryl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964153
N-[bis(4-methoxyphenyl)methyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18197624
2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18267543
N-[bis(4-methoxyphenyl)methyl]-2-(2-methoxy-N-methylanilino)acetamide
CID 55839840
2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56570966
2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 27637883

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (CID 17427445) is N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is COc1ccc(C(NC(=O)CN(C)Cc2sccc2C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The InChIKey is HTWUTLMUXRVJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-17-13-14-28-21(17)15-25(2)16-22(26)24-23(18-7-5-4-6-8-18)19-9-11-20(27-3)12-10-19/h4-14,23H,15-16H2,1-3H3,(H,24,26).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide has a molecular weight of 394.54 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 17427445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).