N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

C23H24N2O5S — CID 2160971

IUPACN-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C23H24N2O5S/c1-18-7-9-20(10-8-18)25(17-21-5-3-13-30-21)23(26)19-4-2-6-22(16-19)31(27,28)24-11-14-29-15-12-24/h2-10,13,16H,11-12,14-15,17H2,1H3
InChIKeyAWNXZCWOMWKZAN-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.46
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2160971) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2160971
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C23H24N2O5S/c1-18-7-9-20(10-8-18)25(17-21-5-3-13-30-21)23(26)19-4-2-6-22(16-19)31(27,28)24-11-14-29-15-12-24/h2-10,13,16H,11-12,14-15,17H2,1H3
InChIKeyAWNXZCWOMWKZAN-UHFFFAOYSA-N
XLogP3.46
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438
furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate
CID 1043465
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 27739609
3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
CID 37429700
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 51181492
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 31963935
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24979784
N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 37429678

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 2160971) is N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AWNXZCWOMWKZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-18-7-9-20(10-8-18)25(17-21-5-3-13-30-21)23(26)19-4-2-6-22(16-19)31(27,28)24-11-14-29-15-12-24/h2-10,13,16H,11-12,14-15,17H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 440.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2160971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).