N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C22H24N2O3S — CID 9052002

IUPACN-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN[C@H](c2ccc(C)cc2)c2cccs2)c(OC)c1
InChIInChI=1S/C22H24N2O3S/c1-15-6-8-16(9-7-15)22(20-5-4-12-28-20)23-14-21(25)24-18-11-10-17(26-2)13-19(18)27-3/h4-13,22-23H,14H2,1-3H3,(H,24,25)/t22-/m1/s1
InChIKeyHHBWRIKKZHDMQR-JOCHJYFZSA-N
MW396.51 g/mol
LogP4.39
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 9052002) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID9052002
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN[C@H](c2ccc(C)cc2)c2cccs2)c(OC)c1
InChIInChI=1S/C22H24N2O3S/c1-15-6-8-16(9-7-15)22(20-5-4-12-28-20)23-14-21(25)24-18-11-10-17(26-2)13-19(18)27-3/h4-13,22-23H,14H2,1-3H3,(H,24,25)/t22-/m1/s1
InChIKeyHHBWRIKKZHDMQR-JOCHJYFZSA-N
XLogP4.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051750
2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46566797
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 26540797
N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 41088668
N-(2,5-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051761
N-(2-bromophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051902
N-(4,5-dimethyl-2-nitrophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051915
2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17392078
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869023
N-(methylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052211
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 9052002) is N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide is COc1ccc(NC(=O)CN[C@H](c2ccc(C)cc2)c2cccs2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is HHBWRIKKZHDMQR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15-6-8-16(9-7-15)22(20-5-4-12-28-20)23-14-21(25)24-18-11-10-17(26-2)13-19(18)27-3/h4-13,22-23H,14H2,1-3H3,(H,24,25)/t22-/m1/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 396.51 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 9052002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).