N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide

C18H23ClN2O2S — CID 60524145

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CNC(c2cccs2)C(C)(C)C)cc1Cl
InChIInChI=1S/C18H23ClN2O2S/c1-18(2,3)17(15-6-5-9-24-15)20-11-16(22)21-12-7-8-14(23-4)13(19)10-12/h5-10,17,20H,11H2,1-4H3,(H,21,22)
InChIKeySXXMDAOCWYYNJH-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.73
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide (PubChem CID 60524145) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide
PubChem CID60524145
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CNC(c2cccs2)C(C)(C)C)cc1Cl
InChIInChI=1S/C18H23ClN2O2S/c1-18(2,3)17(15-6-5-9-24-15)20-11-16(22)21-12-7-8-14(23-4)13(19)10-12/h5-10,17,20H,11H2,1-4H3,(H,21,22)
InChIKeySXXMDAOCWYYNJH-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468596
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
(2R)-2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83194842
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(3-chloro-4-methoxyanilino)-1-thiophen-2-ylethanol
CID 60897079
(2S)-2-amino-N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 82963168
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide (CID 60524145) is N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide is COc1ccc(NC(=O)CNC(c2cccs2)C(C)(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide?
The InChIKey is SXXMDAOCWYYNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-18(2,3)17(15-6-5-9-24-15)20-11-16(22)21-12-7-8-14(23-4)13(19)10-12/h5-10,17,20H,11H2,1-4H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide has a molecular weight of 366.91 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide is sourced from PubChem (CID 60524145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).