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

C24H28N2O3S — CID 17492398

IUPACN-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCOc1ccc(C(NC(=O)CN(C)Cc2sccc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H28N2O3S/c1-17-13-14-30-22(17)15-26(2)16-23(27)25-24(18-5-9-20(28-3)10-6-18)19-7-11-21(29-4)12-8-19/h5-14,24H,15-16H2,1-4H3,(H,25,27)
InChIKeyOJOZQCFREJDDTA-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.41
Rot. Bonds9

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

N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (PubChem CID 17492398) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
PubChem CID17492398
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCOc1ccc(C(NC(=O)CN(C)Cc2sccc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H28N2O3S/c1-17-13-14-30-22(17)15-26(2)16-23(27)25-24(18-5-9-20(28-3)10-6-18)19-7-11-21(29-4)12-8-19/h5-14,24H,15-16H2,1-4H3,(H,25,27)
InChIKeyOJOZQCFREJDDTA-UHFFFAOYSA-N
XLogP4.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 17427445
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 51226646
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911529
N-[bis(4-methoxyphenyl)methyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18197624
N-(4-methoxyphenyl)-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 9434073
N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 51286626
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
N-[bis(4-methoxyphenyl)methyl]-2-(2-methoxy-N-methylanilino)acetamide
CID 55839840
N-(2,5-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433733
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8692831
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-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (CID 17492398) is N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is COc1ccc(C(NC(=O)CN(C)Cc2sccc2C)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The InChIKey is OJOZQCFREJDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-17-13-14-30-22(17)15-26(2)16-23(27)25-24(18-5-9-20(28-3)10-6-18)19-7-11-21(29-4)12-8-19/h5-14,24H,15-16H2,1-4H3,(H,25,27).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide has a molecular weight of 424.57 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 17492398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).