N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

C23H32N4O5S — CID 55452026

IUPACN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(C(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)N2CCOCC2)o1
InChIInChI=1S/C23H32N4O5S/c1-18-6-7-22(32-18)21(26-12-14-31-15-13-26)17-24-23(28)19-4-3-5-20(16-19)33(29,30)27-10-8-25(2)9-11-27/h3-7,16,21H,8-15,17H2,1-2H3,(H,24,28)
InChIKeyINIBQRRQPJNXIJ-UHFFFAOYSA-N
MW476.60 g/mol
LogP1.33
Rot. Bonds7

About N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 55452026) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID55452026
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(C(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)N2CCOCC2)o1
InChIInChI=1S/C23H32N4O5S/c1-18-6-7-22(32-18)21(26-12-14-31-15-13-26)17-24-23(28)19-4-3-5-20(16-19)33(29,30)27-10-8-25(2)9-11-27/h3-7,16,21H,8-15,17H2,1-2H3,(H,24,28)
InChIKeyINIBQRRQPJNXIJ-UHFFFAOYSA-N
XLogP1.33
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 97123755
2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide
CID 99942348
4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55821677
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 50946670
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 42940229
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064823
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 126423370
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
1-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 24643806

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 55452026) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is Cc1ccc(C(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)N2CCOCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is INIBQRRQPJNXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-18-6-7-22(32-18)21(26-12-14-31-15-13-26)17-24-23(28)19-4-3-5-20(16-19)33(29,30)27-10-8-25(2)9-11-27/h3-7,16,21H,8-15,17H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 476.60 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55452026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).