2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide

C23H25N3O6S2 — CID 3202218

IUPAC2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C23H25N3O6S2/c27-23(24-19-7-2-1-3-8-19)18-26(17-20-9-6-16-32-20)34(30,31)22-12-10-21(11-13-22)33(28,29)25-14-4-5-15-25/h1-3,6-13,16H,4-5,14-15,17-18H2,(H,24,27)
InChIKeyJPGHKLNBEXKVST-UHFFFAOYSA-N
MW503.60 g/mol
LogP2.89
Rot. Bonds9

About 2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide

2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide (PubChem CID 3202218) has the molecular formula C23H25N3O6S2 and a molecular weight of 503.60 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
PubChem CID3202218
Molecular FormulaC23H25N3O6S2
Molecular Weight503.60 g/mol
Exact Mass503.12
IUPAC Name2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C23H25N3O6S2/c27-23(24-19-7-2-1-3-8-19)18-26(17-20-9-6-16-32-20)34(30,31)22-12-10-21(11-13-22)33(28,29)25-14-4-5-15-25/h1-3,6-13,16H,4-5,14-15,17-18H2,(H,24,27)
InChIKeyJPGHKLNBEXKVST-UHFFFAOYSA-N
XLogP2.89
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]sulfonyl-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 98104599
2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide
CID 35317281
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
4-(azepan-1-ylsulfonyl)-N-[(4-tert-butylphenyl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 3192393
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[benzyl(ethyl)amino]acetamide
CID 8563826
2-[benzyl(ethyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8541265
4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3192388
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967215
N-(3-chlorophenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 2459887

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
The IUPAC name of 2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide (CID 3202218) is 2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
The canonical SMILES for 2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide is O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
The InChIKey is JPGHKLNBEXKVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S2/c27-23(24-19-7-2-1-3-8-19)18-26(17-20-9-6-16-32-20)34(30,31)22-12-10-21(11-13-22)33(28,29)25-14-4-5-15-25/h1-3,6-13,16H,4-5,14-15,17-18H2,(H,24,27).
What are the key properties of 2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide has a molecular weight of 503.60 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 3202218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).