N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide

C20H29N3O2S+2 — CID 4108286

IUPACN-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-14-15(2)26-20(18(14)13-23-11-9-22(3)10-12-23)21-19(24)16-5-7-17(25-4)8-6-16/h5-8H,9-13H2,1-4H3,(H,21,24)/p+2
InChIKeyHDUXVXLCPOWOOK-UHFFFAOYSA-P
MW375.54 g/mol
LogP0.54
Rot. Bonds5

About N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide

N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide (PubChem CID 4108286) has the molecular formula C20H29N3O2S+2 and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide
PubChem CID4108286
Molecular FormulaC20H29N3O2S+2
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-14-15(2)26-20(18(14)13-23-11-9-22(3)10-12-23)21-19(24)16-5-7-17(25-4)8-6-16/h5-8H,9-13H2,1-4H3,(H,21,24)/p+2
InChIKeyHDUXVXLCPOWOOK-UHFFFAOYSA-P
XLogP0.54
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide with MolForge

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Related Compounds

N-[4,5-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide
CID 3462505
N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide
CID 7345827
ethyl 2-[(4-methoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7135881
N-(4,5-dimethylthiophen-2-yl)-4-methoxybenzamide
CID 1382571
N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 833808
N-[3-[(R)-(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
CID 1179711
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
N-[4,5-dimethyl-3-[(S)-morpholin-4-yl(phenyl)methyl]thiophen-2-yl]-4-methoxybenzamide
CID 1382592
4-methoxy-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 171977630
N-[3-[(R)-(4-methoxyanilino)-phenylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 34055689
methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 55666471
4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1382607

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide (CID 4108286) is N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CC[NH+](C)CC2)cc1.
What is the InChIKey of N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide?
The InChIKey is HDUXVXLCPOWOOK-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H27N3O2S/c1-14-15(2)26-20(18(14)13-23-11-9-22(3)10-12-23)21-19(24)16-5-7-17(25-4)8-6-16/h5-8H,9-13H2,1-4H3,(H,21,24)/p+2.
What are the key properties of N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide?
N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide has a molecular weight of 375.54 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 4108286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).