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

C17H23N5O4S — CID 46972255

IUPAC2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)Cn2cncn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H23N5O4S/c1-13-3-4-15(20-17(23)14(2)10-21-12-18-11-19-21)9-16(13)27(24,25)22-5-7-26-8-6-22/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,20,23)
InChIKeyZNWBWVVWOGUOSG-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.88
Rot. Bonds6

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

2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 46972255) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID46972255
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC Name2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)Cn2cncn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H23N5O4S/c1-13-3-4-15(20-17(23)14(2)10-21-12-18-11-19-21)9-16(13)27(24,25)22-5-7-26-8-6-22/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,20,23)
InChIKeyZNWBWVVWOGUOSG-UHFFFAOYSA-N
XLogP0.88
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 46549642
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide
CID 7689037
2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 42987634
3-[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16539249
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 42975600
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
CID 26521362
cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 11921071

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 46972255) is 2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide is Cc1ccc(NC(=O)C(C)Cn2cncn2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ZNWBWVVWOGUOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-13-3-4-15(20-17(23)14(2)10-21-12-18-11-19-21)9-16(13)27(24,25)22-5-7-26-8-6-22/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 393.47 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 46972255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).