3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide

C15H19N5O4S — CID 2330582

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ncn[nH]1
InChIInChI=1S/C15H19N5O4S/c21-14(18-15-16-11-17-19-15)6-3-12-1-4-13(5-2-12)25(22,23)20-7-9-24-10-8-20/h1-2,4-5,11H,3,6-10H2,(H2,16,17,18,19,21)
InChIKeyOYYUOHZJFXEVAZ-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.40
Rot. Bonds6

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 2330582) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID2330582
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ncn[nH]1
InChIInChI=1S/C15H19N5O4S/c21-14(18-15-16-11-17-19-15)6-3-12-1-4-13(5-2-12)25(22,23)20-7-9-24-10-8-20/h1-2,4-5,11H,3,6-10H2,(H2,16,17,18,19,21)
InChIKeyOYYUOHZJFXEVAZ-UHFFFAOYSA-N
XLogP0.40
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 62945639
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119516414
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735
N-(3-chloro-2-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26309208
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55839411
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 2330582) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ncn[nH]1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is OYYUOHZJFXEVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c21-14(18-15-16-11-17-19-15)6-3-12-1-4-13(5-2-12)25(22,23)20-7-9-24-10-8-20/h1-2,4-5,11H,3,6-10H2,(H2,16,17,18,19,21).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 365.42 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 2330582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).