N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

C17H21ClN2O3S — CID 51286626

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCOc1cc(NC(=O)CN(C)Cc2sccc2C)c(OC)cc1Cl
InChIInChI=1S/C17H21ClN2O3S/c1-11-5-6-24-16(11)9-20(2)10-17(21)19-13-8-14(22-3)12(18)7-15(13)23-4/h5-8H,9-10H2,1-4H3,(H,19,21)
InChIKeyOUCGYTGPWHHVOR-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.80
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (PubChem CID 51286626) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
PubChem CID51286626
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCOc1cc(NC(=O)CN(C)Cc2sccc2C)c(OC)cc1Cl
InChIInChI=1S/C17H21ClN2O3S/c1-11-5-6-24-16(11)9-20(2)10-17(21)19-13-8-14(22-3)12(18)7-15(13)23-4/h5-8H,9-10H2,1-4H3,(H,19,21)
InChIKeyOUCGYTGPWHHVOR-UHFFFAOYSA-N
XLogP3.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433733
N-(5-chloro-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9434187
N-(3-chloro-4-methylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433715
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249569
N-(4-chloro-2-nitrophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433855
N-(4-methoxyphenyl)-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 9434073
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113161536
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 17492398
2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8804593
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide
CID 8804445

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (CID 51286626) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is COc1cc(NC(=O)CN(C)Cc2sccc2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The InChIKey is OUCGYTGPWHHVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-11-5-6-24-16(11)9-20(2)10-17(21)19-13-8-14(22-3)12(18)7-15(13)23-4/h5-8H,9-10H2,1-4H3,(H,19,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide has a molecular weight of 368.89 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 51286626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).