2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide

C20H26N3O3S+ — CID 3632977

IUPAC2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)NCC[NH+]2CCOCC2)c1C
InChIInChI=1S/C20H25N3O3S/c1-14-15(2)27-20(22-18(24)16-6-4-3-5-7-16)17(14)19(25)21-8-9-23-10-12-26-13-11-23/h3-7H,8-13H2,1-2H3,(H,21,25)(H,22,24)/p+1
InChIKeyJKOYLXTUNCEXFD-UHFFFAOYSA-O
MW388.51 g/mol
LogP1.26
Rot. Bonds6

About 2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide

2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide (PubChem CID 3632977) has the molecular formula C20H26N3O3S+ and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide
PubChem CID3632977
Molecular FormulaC20H26N3O3S+
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC Name2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)NCC[NH+]2CCOCC2)c1C
InChIInChI=1S/C20H25N3O3S/c1-14-15(2)27-20(22-18(24)16-6-4-3-5-7-16)17(14)19(25)21-8-9-23-10-12-26-13-11-23/h3-7H,8-13H2,1-2H3,(H,21,25)(H,22,24)/p+1
InChIKeyJKOYLXTUNCEXFD-UHFFFAOYSA-O
XLogP1.26
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 56695006
N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]thiophen-2-yl]benzamide
CID 7784099
3-[[4,5-dimethyl-2-(pyridine-4-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033390
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide
CID 6982798
2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7155155
N-(2-morpholin-4-ium-4-ylethyl)-3,3-diphenylpropanamide
CID 6919320
N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide
CID 6949050
N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 833808
N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide
CID 39161677

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide?
The IUPAC name of 2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide (CID 3632977) is 2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide is Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCC[NH+]2CCOCC2)c1C.
What is the InChIKey of 2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide?
The InChIKey is JKOYLXTUNCEXFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O3S/c1-14-15(2)27-20(22-18(24)16-6-4-3-5-7-16)17(14)19(25)21-8-9-23-10-12-26-13-11-23/h3-7H,8-13H2,1-2H3,(H,21,25)(H,22,24)/p+1.
What are the key properties of 2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide?
2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 3632977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).