N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide

C22H24N2O5S2 — CID 90583280

IUPACN-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C22H24N2O5S2/c25-22(23(16-18-8-12-29-17-18)9-7-20-2-1-15-30-20)19-3-5-21(6-4-19)31(26,27)24-10-13-28-14-11-24/h1-6,8,12,15,17H,7,9-11,13-14,16H2
InChIKeyPBYOEZFETSPUAQ-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.25
Rot. Bonds8

About N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide

N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 90583280) has the molecular formula C22H24N2O5S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID90583280
Molecular FormulaC22H24N2O5S2
Molecular Weight460.58 g/mol
Exact Mass460.11
IUPAC NameN-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C22H24N2O5S2/c25-22(23(16-18-8-12-29-17-18)9-7-20-2-1-15-30-20)19-3-5-21(6-4-19)31(26,27)24-10-13-28-14-11-24/h1-6,8,12,15,17H,7,9-11,13-14,16H2
InChIKeyPBYOEZFETSPUAQ-UHFFFAOYSA-N
XLogP3.25
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 71803989
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90583211
N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 90496092
3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90583258
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 71804179
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 19258251
1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 60580836
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 8631773
N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8502036

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide (CID 90583280) is N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCc1cccs1)Cc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is PBYOEZFETSPUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S2/c25-22(23(16-18-8-12-29-17-18)9-7-20-2-1-15-30-20)19-3-5-21(6-4-19)31(26,27)24-10-13-28-14-11-24/h1-6,8,12,15,17H,7,9-11,13-14,16H2.
What are the key properties of N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 460.58 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90583280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).