1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide

C21H27N5O5S2 — CID 24532534

IUPAC1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCCCc1nc(-c2cccs2)no1
InChIInChI=1S/C21H27N5O5S2/c1-25-15-16(33(28,29)26-9-11-30-12-10-26)14-17(25)21(27)22-8-4-2-3-7-19-23-20(24-31-19)18-6-5-13-32-18/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,27)
InChIKeyMXOYSHYEKOBTTO-UHFFFAOYSA-N
MW493.61 g/mol
LogP2.30
Rot. Bonds10

About 1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide

1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide (PubChem CID 24532534) has the molecular formula C21H27N5O5S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide
PubChem CID24532534
Molecular FormulaC21H27N5O5S2
Molecular Weight493.61 g/mol
Exact Mass493.15
IUPAC Name1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCCCc1nc(-c2cccs2)no1
InChIInChI=1S/C21H27N5O5S2/c1-25-15-16(33(28,29)26-9-11-30-12-10-26)14-17(25)21(27)22-8-4-2-3-7-19-23-20(24-31-19)18-6-5-13-32-18/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,27)
InChIKeyMXOYSHYEKOBTTO-UHFFFAOYSA-N
XLogP2.30
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
N-(2-morpholin-4-ylethyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 39717880
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
N'-[2-[(1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carbonyl)amino]ethyl]-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
CID 166401640
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519090
2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144259
2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144215
3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144170
ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
CID 9144032
2-(2-fluorophenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 24504993
N-(2-morpholin-4-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43045209

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide (CID 24532534) is 1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCCCc1nc(-c2cccs2)no1.
What is the InChIKey of 1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide?
The InChIKey is MXOYSHYEKOBTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5S2/c1-25-15-16(33(28,29)26-9-11-30-12-10-26)14-17(25)21(27)22-8-4-2-3-7-19-23-20(24-31-19)18-6-5-13-32-18/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,27).
What are the key properties of 1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide?
1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 2.30, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-morpholin-4-ylsulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyrrole-2-carboxamide is sourced from PubChem (CID 24532534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).