N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide

C21H20N2O6S2 — CID 90612252

IUPACN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H20N2O6S2/c24-20(18-2-1-11-29-18)19-8-5-16(30-19)14-22-21(25)15-3-6-17(7-4-15)31(26,27)23-9-12-28-13-10-23/h1-8,11H,9-10,12-14H2,(H,22,25)
InChIKeyGUPYXZZACVWPLS-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.52
Rot. Bonds7

About N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 90612252) has the molecular formula C21H20N2O6S2 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID90612252
Molecular FormulaC21H20N2O6S2
Molecular Weight460.53 g/mol
Exact Mass460.08
IUPAC NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H20N2O6S2/c24-20(18-2-1-11-29-18)19-8-5-16(30-19)14-22-21(25)15-3-6-17(7-4-15)31(26,27)23-9-12-28-13-10-23/h1-8,11H,9-10,12-14H2,(H,22,25)
InChIKeyGUPYXZZACVWPLS-UHFFFAOYSA-N
XLogP2.52
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24548452
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 32775606
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618
N-[(1R)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856521
N-[(1S)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856511
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46593393
N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 171983012
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
CID 32742505
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide (CID 90612252) is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide is O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GUPYXZZACVWPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S2/c24-20(18-2-1-11-29-18)19-8-5-16(30-19)14-22-21(25)15-3-6-17(7-4-15)31(26,27)23-9-12-28-13-10-23/h1-8,11H,9-10,12-14H2,(H,22,25).
What are the key properties of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 460.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 90612252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).