N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide

C20H25N2O3S+ — CID 6982798

IUPACN-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide
SMILESCc1ccc(C(=O)c2c(NC(=O)C[NH+]3CCOCC3)sc(C)c2C)cc1
InChIInChI=1S/C20H24N2O3S/c1-13-4-6-16(7-5-13)19(24)18-14(2)15(3)26-20(18)21-17(23)12-22-8-10-25-11-9-22/h4-7H,8-12H2,1-3H3,(H,21,23)/p+1
InChIKeyRRDSOYCHMDTHOE-UHFFFAOYSA-O
MW373.50 g/mol
LogP1.76
Rot. Bonds5

About N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide

N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 6982798) has the molecular formula C20H25N2O3S+ and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide
PubChem CID6982798
Molecular FormulaC20H25N2O3S+
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide
SMILESCc1ccc(C(=O)c2c(NC(=O)C[NH+]3CCOCC3)sc(C)c2C)cc1
InChIInChI=1S/C20H24N2O3S/c1-13-4-6-16(7-5-13)19(24)18-14(2)15(3)26-20(18)21-17(23)12-22-8-10-25-11-9-22/h4-7H,8-12H2,1-3H3,(H,21,23)/p+1
InChIKeyRRDSOYCHMDTHOE-UHFFFAOYSA-O
XLogP1.76
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4,5-dimethyl-2-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 8726554
ethyl 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate
CID 7360402
2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide
CID 3632977
ethyl 4-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 2654282
ethyl (6R)-6-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 6961127
N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide
CID 10970141
N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide
CID 1374953
ethyl 4,5-dimethyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 7441459
N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6993865
4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 3165980
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6951792
4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide
CID 143196350

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide (CID 6982798) is N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide is Cc1ccc(C(=O)c2c(NC(=O)C[NH+]3CCOCC3)sc(C)c2C)cc1.
What is the InChIKey of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is RRDSOYCHMDTHOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O3S/c1-13-4-6-16(7-5-13)19(24)18-14(2)15(3)26-20(18)21-17(23)12-22-8-10-25-11-9-22/h4-7H,8-12H2,1-3H3,(H,21,23)/p+1.
What are the key properties of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide?
N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 373.50 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 6982798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).