N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

C23H27N3O5S — CID 25342331

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)cc1
InChIInChI=1S/C23H27N3O5S/c1-16-7-12-19(32(28,29)25-17-8-10-18(30-4)11-9-17)14-20(16)23(27)24-15-21(26(2)3)22-6-5-13-31-22/h5-14,21,25H,15H2,1-4H3,(H,24,27)/t21-/m0/s1
InChIKeyLENKXBZOKMPQMN-NRFANRHFSA-N
MW457.55 g/mol
LogP3.43
Rot. Bonds9

About N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 25342331) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID25342331
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)cc1
InChIInChI=1S/C23H27N3O5S/c1-16-7-12-19(32(28,29)25-17-8-10-18(30-4)11-9-17)14-20(16)23(27)24-15-21(26(2)3)22-6-5-13-31-22/h5-14,21,25H,15H2,1-4H3,(H,24,27)/t21-/m0/s1
InChIKeyLENKXBZOKMPQMN-NRFANRHFSA-N
XLogP3.43
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 25331214
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55347598
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51145074
N-(3-methoxy-2-methylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 47080226
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542679
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396261
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 78768992
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25353255
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55455309
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (CID 25342331) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is LENKXBZOKMPQMN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-16-7-12-19(32(28,29)25-17-8-10-18(30-4)11-9-17)14-20(16)23(27)24-15-21(26(2)3)22-6-5-13-31-22/h5-14,21,25H,15H2,1-4H3,(H,24,27)/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 457.55 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 25342331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).