2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide

C15H21ClN2OS — CID 79957292

IUPAC2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide
SMILESCC1SCCCC1Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H21ClN2OS/c1-10-14(5-4-8-20-10)17-11-6-7-13(16)12(9-11)15(19)18(2)3/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyYEIMZTBTINUKMD-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.74
Rot. Bonds3

About 2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide

2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide (PubChem CID 79957292) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide
PubChem CID79957292
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide
SMILESCC1SCCCC1Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H21ClN2OS/c1-10-14(5-4-8-20-10)17-11-6-7-13(16)12(9-11)15(19)18(2)3/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyYEIMZTBTINUKMD-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N,N-dimethyl-5-[(2-methylcyclopentyl)amino]benzamide
CID 65044373
2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 43709780
N-(4-chloro-3-nitrophenyl)-2-methylthian-3-amine
CID 79956564
N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide
CID 79956560
N-(3,4-dimethylphenyl)-2-methylthian-3-amine
CID 79957620
5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79461229
2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
CID 63335405
2-chloro-5-[(4,4-dimethylthian-3-yl)amino]-N,N-dimethylbenzamide
CID 79954819
2-methyl-N-(4-methylphenyl)thian-3-amine
CID 79957900
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide
CID 107131586
N-(2,6-dichlorophenyl)-2-methylthian-3-amine
CID 79957419

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide (CID 79957292) is 2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide is CC1SCCCC1Nc1ccc(Cl)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide?
The InChIKey is YEIMZTBTINUKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-10-14(5-4-8-20-10)17-11-6-7-13(16)12(9-11)15(19)18(2)3/h6-7,9-10,14,17H,4-5,8H2,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide?
2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide has a molecular weight of 312.87 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide is sourced from PubChem (CID 79957292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).