N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide

C16H24N2OS — CID 79956560

IUPACN,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC1CCCSC1C
InChIInChI=1S/C16H24N2OS/c1-11-7-8-13(16(19)18(3)4)10-15(11)17-14-6-5-9-20-12(14)2/h7-8,10,12,14,17H,5-6,9H2,1-4H3
InChIKeySETGEARUJXNKRA-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.39
Rot. Bonds3

About N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide

N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide (PubChem CID 79956560) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide
PubChem CID79956560
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC1CCCSC1C
InChIInChI=1S/C16H24N2OS/c1-11-7-8-13(16(19)18(3)4)10-15(11)17-14-6-5-9-20-12(14)2/h7-8,10,12,14,17H,5-6,9H2,1-4H3
InChIKeySETGEARUJXNKRA-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide?
The IUPAC name of N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide (CID 79956560) is N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide?
The canonical SMILES for N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide is Cc1ccc(C(=O)N(C)C)cc1NC1CCCSC1C.
What is the InChIKey of N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide?
The InChIKey is SETGEARUJXNKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11-7-8-13(16(19)18(3)4)10-15(11)17-14-6-5-9-20-12(14)2/h7-8,10,12,14,17H,5-6,9H2,1-4H3.
What are the key properties of N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide?
N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide is sourced from PubChem (CID 79956560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).