N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C24H26N2O4S2 — CID 25162081

IUPACN-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-19-7-9-21(10-8-19)26(18-20-5-3-2-4-6-20)23(27)17-22-11-12-24(31-22)32(28,29)25-13-15-30-16-14-25/h2-12H,13-18H2,1H3
InChIKeyMDZDPWNCHNKHDP-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.85
Rot. Bonds7

About N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 25162081) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID25162081
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC NameN-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-19-7-9-21(10-8-19)26(18-20-5-3-2-4-6-20)23(27)17-22-11-12-24(31-22)32(28,29)25-13-15-30-16-14-25/h2-12H,13-18H2,1H3
InChIKeyMDZDPWNCHNKHDP-UHFFFAOYSA-N
XLogP3.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
5-bromo-N-(4-methylphenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 992214
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2510848
N-(1,1-dioxido-2,3-dihydrothien-3-yl)-N-(4-methylphenyl)-4-(morpholin-4-ylsulfonyl)benzamide
CID 3239122
N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 9207628
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24687499
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24816698
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24979750
N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
CID 24980303
N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
CID 24980486
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 24980722
3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24983032

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 25162081) is N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is Cc1ccc(N(Cc2ccccc2)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is MDZDPWNCHNKHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-19-7-9-21(10-8-19)26(18-20-5-3-2-4-6-20)23(27)17-22-11-12-24(31-22)32(28,29)25-13-15-30-16-14-25/h2-12H,13-18H2,1H3.
What are the key properties of N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 470.62 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 25162081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).