N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

C25H29N3O5S — CID 41105028

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-27(21-8-3-4-9-23(21)32-2)34(30,31)20-13-11-19(12-14-20)25(29)26-18-22(24-10-7-17-33-24)28-15-5-6-16-28/h3-4,7-14,17,22H,5-6,15-16,18H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKeyFBVGAKJXLICGAD-QFIPXVFZSA-N
MW483.59 g/mol
LogP3.68
Rot. Bonds9

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 41105028) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID41105028
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-27(21-8-3-4-9-23(21)32-2)34(30,31)20-13-11-19(12-14-20)25(29)26-18-22(24-10-7-17-33-24)28-15-5-6-16-28/h3-4,7-14,17,22H,5-6,15-16,18H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKeyFBVGAKJXLICGAD-QFIPXVFZSA-N
XLogP3.68
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 41105030
4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 7719507
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 40984734
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 39650274
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (CID 41105028) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is FBVGAKJXLICGAD-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-27(21-8-3-4-9-23(21)32-2)34(30,31)20-13-11-19(12-14-20)25(29)26-18-22(24-10-7-17-33-24)28-15-5-6-16-28/h3-4,7-14,17,22H,5-6,15-16,18H2,1-2H3,(H,26,29)/t22-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 483.59 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 41105028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).