4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide

C16H19ClN2O2S — CID 119787675

IUPAC4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C16H19ClN2O2S/c1-16(2,14-5-4-6-22-14)9-19-15(20)10-7-11(17)12(18)8-13(10)21-3/h4-8H,9,18H2,1-3H3,(H,19,20)
InChIKeyOBXOHMCOVLWLRI-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.70
Rot. Bonds5

About 4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide

4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide (PubChem CID 119787675) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
PubChem CID119787675
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C16H19ClN2O2S/c1-16(2,14-5-4-6-22-14)9-19-15(20)10-7-11(17)12(18)8-13(10)21-3/h4-8H,9,18H2,1-3H3,(H,19,20)
InChIKeyOBXOHMCOVLWLRI-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
CID 119789400
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789399
4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 80526929
4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide
CID 119399937
5-amino-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 80526889
4-amino-5-chloro-2-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 119830234
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104742615
4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 80527456
(2S)-2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416073
4-amino-5-chloro-2-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 119831449

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide (CID 119787675) is 4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide is COc1cc(N)c(Cl)cc1C(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
The InChIKey is OBXOHMCOVLWLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-16(2,14-5-4-6-22-14)9-19-15(20)10-7-11(17)12(18)8-13(10)21-3/h4-8H,9,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide has a molecular weight of 338.86 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 119787675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).