N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

C15H17ClN2O2S — CID 8965468

IUPACN-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2cccs2)cc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-18(9-12-4-3-7-21-12)10-15(19)17-11-5-6-14(20-2)13(16)8-11/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyBWDDYLLLPIDFFX-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.48
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8965468) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8965468
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2cccs2)cc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-18(9-12-4-3-7-21-12)10-15(19)17-11-5-6-14(20-2)13(16)8-11/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyBWDDYLLLPIDFFX-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ML162
CID 3689413
N-(5-chloro-2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965785
2-[2-Chloro-N-(3-chloro-4-methoxyphenyl)acetamido]-N-cyclohexyl-2-(thiophen-2-YL)acetamide
CID 5062094
N-benzyl-2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-2-thiophen-2-ylacetamide
CID 49766544
N-(3-chloro-4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]prop-2-ynamide
CID 162672277
(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2443459
N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655774
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 9117954
N-(3-chloro-4-methoxyphenyl)-N'-thien-2-ylurea
CID 16193595
2-[(Thiophen-2-ylmethyl)-amino]-N-(4-trifluoromethoxy-phenyl)-acetamide
CID 24761086
N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 44535683
2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-2-(5-chlorothiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 49766511

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 8965468) is N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is COc1ccc(NC(=O)CN(C)Cc2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is BWDDYLLLPIDFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-18(9-12-4-3-7-21-12)10-15(19)17-11-5-6-14(20-2)13(16)8-11/h3-8H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 324.83 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8965468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).