2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide

C14H16N2OS — CID 43694008

IUPAC2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
SMILESCc1ccc(CNc2cccc(C(N)=O)c2C)s1
InChIInChI=1S/C14H16N2OS/c1-9-6-7-11(18-9)8-16-13-5-3-4-12(10(13)2)14(15)17/h3-7,16H,8H2,1-2H3,(H2,15,17)
InChIKeyMXJJNPZDYTYMIE-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.08
Rot. Bonds4

About 2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide

2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide (PubChem CID 43694008) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
PubChem CID43694008
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
SMILESCc1ccc(CNc2cccc(C(N)=O)c2C)s1
InChIInChI=1S/C14H16N2OS/c1-9-6-7-11(18-9)8-16-13-5-3-4-12(10(13)2)14(15)17/h3-7,16H,8H2,1-2H3,(H2,15,17)
InChIKeyMXJJNPZDYTYMIE-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758134
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide
CID 54883427
3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
CID 66385546
2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63656612
2-bromo-6-[(5-methylthiophen-2-yl)methylamino]benzenecarbothioamide
CID 114882304
3-(3,3-dimethylbutylamino)-2-methylbenzamide
CID 62952099
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
3-[(3-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 43694119
3-[(3-bromothiophen-2-yl)methylamino]-2-methylbenzamide
CID 115379961
2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
CID 115546311
3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide
CID 60537644

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide?
The IUPAC name of 2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide (CID 43694008) is 2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide.
What is the SMILES notation for 2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide?
The canonical SMILES for 2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide is Cc1ccc(CNc2cccc(C(N)=O)c2C)s1.
What is the InChIKey of 2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide?
The InChIKey is MXJJNPZDYTYMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-6-7-11(18-9)8-16-13-5-3-4-12(10(13)2)14(15)17/h3-7,16H,8H2,1-2H3,(H2,15,17).
What are the key properties of 2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide?
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide has a molecular weight of 260.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide is sourced from PubChem (CID 43694008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).