N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide

C18H18N4O5S2 — CID 90607660

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1noc(-c2sccc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C18H18N4O5S2/c1-12-19-18(27-21-12)16-15(6-11-28-16)20-17(23)13-2-4-14(5-3-13)29(24,25)22-7-9-26-10-8-22/h2-6,11H,7-10H2,1H3,(H,20,23)
InChIKeyKRRCOZLRZHTLGC-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 90607660) has the molecular formula C18H18N4O5S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID90607660
Molecular FormulaC18H18N4O5S2
Molecular Weight434.50 g/mol
Exact Mass434.07
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1noc(-c2sccc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C18H18N4O5S2/c1-12-19-18(27-21-12)16-15(6-11-28-16)20-17(23)13-2-4-14(5-3-13)29(24,25)22-7-9-26-10-8-22/h2-6,11H,7-10H2,1H3,(H,20,23)
InChIKeyKRRCOZLRZHTLGC-UHFFFAOYSA-N
XLogP2.38
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607965
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55530694
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333508
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
CID 5044047
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2105108
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 90607660) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide is Cc1noc(-c2sccc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KRRCOZLRZHTLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S2/c1-12-19-18(27-21-12)16-15(6-11-28-16)20-17(23)13-2-4-14(5-3-13)29(24,25)22-7-9-26-10-8-22/h2-6,11H,7-10H2,1H3,(H,20,23).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 434.50 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 90607660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).