N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C18H18N4O6S3 — CID 44921822

IUPACN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C18H18N4O6S3/c23-17(14-8-4-10-22(14)31(26,27)16-9-5-11-29-16)19-18-21-20-15(28-18)12-30(24,25)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,19,21,23)
InChIKeyMXOHHJBMUKLAKI-UHFFFAOYSA-N
MW482.57 g/mol
LogP1.90
Rot. Bonds7

About N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 44921822) has the molecular formula C18H18N4O6S3 and a molecular weight of 482.57 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID44921822
Molecular FormulaC18H18N4O6S3
Molecular Weight482.57 g/mol
Exact Mass482.04
IUPAC NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C18H18N4O6S3/c23-17(14-8-4-10-22(14)31(26,27)16-9-5-11-29-16)19-18-21-20-15(28-18)12-30(24,25)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,19,21,23)
InChIKeyMXOHHJBMUKLAKI-UHFFFAOYSA-N
XLogP1.90
TPSA139.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94658657
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43973293
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43973328
N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 56555653
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
(2R)-N-(2-methyl-1,3-benzoxazol-6-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 99702000
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 44921822) is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is MXOHHJBMUKLAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O6S3/c23-17(14-8-4-10-22(14)31(26,27)16-9-5-11-29-16)19-18-21-20-15(28-18)12-30(24,25)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,19,21,23).
What are the key properties of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 44921822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).