N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C19H28N6O3S — CID 56527543

IUPACN-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nc(N3CCCCC3)n[nH]2)c(C)c1
InChIInChI=1S/C19H28N6O3S/c1-13-11-14(2)17(15(3)12-13)29(27,28)20-8-7-16(26)21-18-22-19(24-23-18)25-9-5-4-6-10-25/h11-12,20H,4-10H2,1-3H3,(H2,21,22,23,24,26)
InChIKeyDYZHMLWQGFNREM-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.03
Rot. Bonds7

About N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 56527543) has the molecular formula C19H28N6O3S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID56527543
Molecular FormulaC19H28N6O3S
Molecular Weight420.54 g/mol
Exact Mass420.19
IUPAC NameN-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nc(N3CCCCC3)n[nH]2)c(C)c1
InChIInChI=1S/C19H28N6O3S/c1-13-11-14(2)17(15(3)12-13)29(27,28)20-8-7-16(26)21-18-22-19(24-23-18)25-9-5-4-6-10-25/h11-12,20H,4-10H2,1-3H3,(H2,21,22,23,24,26)
InChIKeyDYZHMLWQGFNREM-UHFFFAOYSA-N
XLogP2.03
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 78792145
2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527383
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 75376748
N-(4-bromo-2-hydroxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 60513132
N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
CID 46321445
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314
N-(2-fluorophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26584303
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 29410693
N-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 17420710
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26046308

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 56527543) is N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nc(N3CCCCC3)n[nH]2)c(C)c1.
What is the InChIKey of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is DYZHMLWQGFNREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3S/c1-13-11-14(2)17(15(3)12-13)29(27,28)20-8-7-16(26)21-18-22-19(24-23-18)25-9-5-4-6-10-25/h11-12,20H,4-10H2,1-3H3,(H2,21,22,23,24,26).
What are the key properties of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 420.54 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 56527543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).