N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C24H28N2O3S3 — CID 55390614

IUPACN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)s1
InChIInChI=1S/C24H28N2O3S3/c1-19-9-10-22(30-19)18-25(16-13-20-7-3-2-4-8-20)23(27)17-21-11-12-24(31-21)32(28,29)26-14-5-6-15-26/h2-4,7-12H,5-6,13-18H2,1H3
InChIKeyMTNLMRJEWGJFNH-UHFFFAOYSA-N
MW488.70 g/mol
LogP4.72
Rot. Bonds9

About N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 55390614) has the molecular formula C24H28N2O3S3 and a molecular weight of 488.70 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID55390614
Molecular FormulaC24H28N2O3S3
Molecular Weight488.70 g/mol
Exact Mass488.13
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)s1
InChIInChI=1S/C24H28N2O3S3/c1-19-9-10-22(30-19)18-25(16-13-20-7-3-2-4-8-20)23(27)17-21-11-12-24(31-21)32(28,29)26-14-5-6-15-26/h2-4,7-12H,5-6,13-18H2,1H3
InChIKeyMTNLMRJEWGJFNH-UHFFFAOYSA-N
XLogP4.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.70
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31821793
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55980282
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884701
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
2-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 134008275
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 39763479
N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 47097885
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 113074757
2-[methyl-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]propanoic acid
CID 119208948
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119691858
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 8911506

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 55390614) is N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is Cc1ccc(CN(CCc2ccccc2)C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is MTNLMRJEWGJFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S3/c1-19-9-10-22(30-19)18-25(16-13-20-7-3-2-4-8-20)23(27)17-21-11-12-24(31-21)32(28,29)26-14-5-6-15-26/h2-4,7-12H,5-6,13-18H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 488.70 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 55390614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).