N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C21H30N4O4S — CID 4848377

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1cc(C)n(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C21H30N4O4S/c1-17-16-18(2)25(23-17)11-3-10-22-21(26)9-6-19-4-7-20(8-5-19)30(27,28)24-12-14-29-15-13-24/h4-5,7-8,16H,3,6,9-15H2,1-2H3,(H,22,26)
InChIKeyMYJZLHFXAZQKJP-UHFFFAOYSA-N
MW434.56 g/mol
LogP1.66
Rot. Bonds9

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 4848377) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID4848377
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1cc(C)n(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C21H30N4O4S/c1-17-16-18(2)25(23-17)11-3-10-22-21(26)9-6-19-4-7-20(8-5-19)30(27,28)24-12-14-29-15-13-24/h4-5,7-8,16H,3,6,9-15H2,1-2H3,(H,22,26)
InChIKeyMYJZLHFXAZQKJP-UHFFFAOYSA-N
XLogP1.66
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 151104161
N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155513070
4-({3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]phenyl}sulfonyl)morpholine
CID 1526370
3,5-Dimethylpyrazolyl 4-{[(oxolan-2-ylmethyl)amino]sulfonyl}phenyl ketone
CID 2946188
N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307103
N-{2-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-1-phenylpentyl}-4-methylbenzenesulfonamide
CID 11842333
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-oxo-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 11842334
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4787528
N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307629
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5307756

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 4848377) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cc1cc(C)n(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is MYJZLHFXAZQKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-17-16-18(2)25(23-17)11-3-10-22-21(26)9-6-19-4-7-20(8-5-19)30(27,28)24-12-14-29-15-13-24/h4-5,7-8,16H,3,6,9-15H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 434.56 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4848377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).