N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide

C21H23N5O4S — CID 32581647

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H23N5O4S/c1-2-25-15-22-24-20(25)17-4-3-5-18(14-17)23-21(27)16-6-8-19(9-7-16)31(28,29)26-10-12-30-13-11-26/h3-9,14-15H,2,10-13H2,1H3,(H,23,27)
InChIKeyXNTNYWZIISHXMR-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.24
Rot. Bonds6

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 32581647) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID32581647
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H23N5O4S/c1-2-25-15-22-24-20(25)17-4-3-5-18(14-17)23-21(27)16-6-8-19(9-7-16)31(28,29)26-10-12-30-13-11-26/h3-9,14-15H,2,10-13H2,1H3,(H,23,27)
InChIKeyXNTNYWZIISHXMR-UHFFFAOYSA-N
XLogP2.24
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 30823369
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 4172683
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 3718806
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32581878
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951793

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide (CID 32581647) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide is CCn1cnnc1-c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XNTNYWZIISHXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-2-25-15-22-24-20(25)17-4-3-5-18(14-17)23-21(27)16-6-8-19(9-7-16)31(28,29)26-10-12-30-13-11-26/h3-9,14-15H,2,10-13H2,1H3,(H,23,27).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 441.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 32581647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).