N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

C23H27N3O5S — CID 24542679

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(c3ccco3)N(C)C)c2)cc1
InChIInChI=1S/C23H27N3O5S/c1-4-30-19-12-10-18(11-13-19)25-32(28,29)20-8-5-7-17(15-20)23(27)24-16-21(26(2)3)22-9-6-14-31-22/h5-15,21,25H,4,16H2,1-3H3,(H,24,27)
InChIKeyPNTNWBCQLRMXJX-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.51
Rot. Bonds10

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 24542679) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID24542679
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(c3ccco3)N(C)C)c2)cc1
InChIInChI=1S/C23H27N3O5S/c1-4-30-19-12-10-18(11-13-19)25-32(28,29)20-8-5-7-17(15-20)23(27)24-16-21(26(2)3)22-9-6-14-31-22/h5-15,21,25H,4,16H2,1-3H3,(H,24,27)
InChIKeyPNTNWBCQLRMXJX-UHFFFAOYSA-N
XLogP3.51
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25496186
N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542716
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25374826
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 47007180
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 25342331
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25353255
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 25331234
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 43017221

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 24542679) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(c3ccco3)N(C)C)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is PNTNWBCQLRMXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-4-30-19-12-10-18(11-13-19)25-32(28,29)20-8-5-7-17(15-20)23(27)24-16-21(26(2)3)22-9-6-14-31-22/h5-15,21,25H,4,16H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 457.55 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24542679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).