N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide

C21H21ClN2O3S — CID 166192874

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)Cc2cccs2)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-26-17-8-6-16(7-9-17)24(13-18-4-3-11-28-18)14-21(25)23-19-12-15(22)5-10-20(19)27-2/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyHBMALWOEFBAHNV-UHFFFAOYSA-N
MW416.93 g/mol
LogP5.06
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide (PubChem CID 166192874) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide
PubChem CID166192874
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)Cc2cccs2)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-26-17-8-6-16(7-9-17)24(13-18-4-3-11-28-18)14-21(25)23-19-12-15(22)5-10-20(19)27-2/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyHBMALWOEFBAHNV-UHFFFAOYSA-N
XLogP5.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.93
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610830
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
CID 60561036
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]azanium
CID 8557785
methyl 3-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 24566418
2-(N-acetyl-3-methoxyanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113173418
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoro-N-methylanilino)acetamide
CID 60573040
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61013224
N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9222315
N-(5-chloro-2-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779237

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide (CID 166192874) is N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide is COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)Cc2cccs2)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide?
The InChIKey is HBMALWOEFBAHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-26-17-8-6-16(7-9-17)24(13-18-4-3-11-28-18)14-21(25)23-19-12-15(22)5-10-20(19)27-2/h3-12H,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide has a molecular weight of 416.93 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide is sourced from PubChem (CID 166192874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).