3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

C15H17ClN2OS — CID 115930368

IUPAC3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cccc(N)c2Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-9-7-8-13(20-9)10(2)18(3)15(19)11-5-4-6-12(17)14(11)16/h4-8,10H,17H2,1-3H3
InChIKeyHJVJKHMJTXLCHB-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.13
Rot. Bonds3

About 3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 115930368) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID115930368
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cccc(N)c2Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-9-7-8-13(20-9)10(2)18(3)15(19)11-5-4-6-12(17)14(11)16/h4-8,10H,17H2,1-3H3
InChIKeyHJVJKHMJTXLCHB-UHFFFAOYSA-N
XLogP4.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Chlorophenyl)-N-[5-(Cyclopropylcarbamoyl)-2-Methylphenyl]thiophene-2-Carboxamide
CID 24985573
N-(3-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 7120750
5-(2-chlorophenyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 155520576
5-(2-chlorophenyl)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 155520781
1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 72705782
1-[[4-chloro-3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 129625977
1-[[2-chloro-3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 129626043
5-(2-chlorophenyl)-N-[2-methyl-5-(4-methylpentylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 155550010
5-(2-chlorophenyl)-N-[5-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylphenyl]thiophene-2-carboxamide
CID 155567574
2-Chloro-N-(4-methylphenyl)-N-[(thiophen-2-YL)methyl]benzamide
CID 16015872
N-[5-(4-acetylpiperazine-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 24981844
2,5-dichloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-sulfonamide
CID 172434072

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 115930368) is 3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is Cc1ccc(C(C)N(C)C(=O)c2cccc(N)c2Cl)s1.
What is the InChIKey of 3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is HJVJKHMJTXLCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-9-7-8-13(20-9)10(2)18(3)15(19)11-5-4-6-12(17)14(11)16/h4-8,10H,17H2,1-3H3.
What are the key properties of 3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 308.83 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 115930368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).