N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide

C16H20N2OS — CID 833808

IUPACN-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(CN(C)C)c1C
InChIInChI=1S/C16H20N2OS/c1-11-12(2)20-16(14(11)10-18(3)4)17-15(19)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3,(H,17,19)
InChIKeyQPOYSNKDKSRNOC-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.68
Rot. Bonds4

About N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide

N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 833808) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID833808
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(CN(C)C)c1C
InChIInChI=1S/C16H20N2OS/c1-11-12(2)20-16(14(11)10-18(3)4)17-15(19)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3,(H,17,19)
InChIKeyQPOYSNKDKSRNOC-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 832523
N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide
CID 5158950
N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1034327
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 7124138
2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 167713872
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
N-[3-[(R)-anilino(phenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 40684745
3-benzamido-4,5-dimethylthiophene-2-carboxylic acid
CID 569948
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide
CID 3632977
N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide
CID 4108286

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 833808) is N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c(CN(C)C)c1C.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is QPOYSNKDKSRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-12(2)20-16(14(11)10-18(3)4)17-15(19)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3,(H,17,19).
What are the key properties of N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 288.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 833808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).