N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide

C20H26FN2OS+ — CID 7345827

IUPACN-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide
SMILESCc1sc(NC(=O)c2ccc(F)cc2)c(C[NH+]2CCCC[C@H]2C)c1C
InChIInChI=1S/C20H25FN2OS/c1-13-6-4-5-11-23(13)12-18-14(2)15(3)25-20(18)22-19(24)16-7-9-17(21)10-8-16/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,24)/p+1/t13-/m1/s1
InChIKeyPHZVZDISHXLFIK-CYBMUJFWSA-O
MW361.51 g/mol
LogP3.71
Rot. Bonds4

About N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide

N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide (PubChem CID 7345827) has the molecular formula C20H26FN2OS+ and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide
PubChem CID7345827
Molecular FormulaC20H26FN2OS+
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC NameN-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide
SMILESCc1sc(NC(=O)c2ccc(F)cc2)c(C[NH+]2CCCC[C@H]2C)c1C
InChIInChI=1S/C20H25FN2OS/c1-13-6-4-5-11-23(13)12-18-14(2)15(3)25-20(18)22-19(24)16-7-9-17(21)10-8-16/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,24)/p+1/t13-/m1/s1
InChIKeyPHZVZDISHXLFIK-CYBMUJFWSA-O
XLogP3.71
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide with MolForge

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Related Compounds

N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide
CID 4108286
ethyl 5-(cyclopentylcarbamoyl)-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 4128602
N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 833808
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8583444
N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide
CID 5158950
N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 7124138
N-[3-[(4-benzylpiperidin-1-yl)-(4-fluorophenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4672709
N-[3-[(R)-(4-fluoroanilino)-phenylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 34055686
N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2698019
N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1034327
ethyl 5-(diethylcarbamoyl)-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1222296

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide (CID 7345827) is N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide is Cc1sc(NC(=O)c2ccc(F)cc2)c(C[NH+]2CCCC[C@H]2C)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide?
The InChIKey is PHZVZDISHXLFIK-CYBMUJFWSA-O. The full InChI is InChI=1S/C20H25FN2OS/c1-13-6-4-5-11-23(13)12-18-14(2)15(3)25-20(18)22-19(24)16-7-9-17(21)10-8-16/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,24)/p+1/t13-/m1/s1.
What are the key properties of N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide?
N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide has a molecular weight of 361.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 7345827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).