1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide

C24H30N4O3S — CID 56836673

IUPAC1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cccc(C(Cc3ccccc3)CN3CCOCC3)c2)cn1
InChIInChI=1S/C24H30N4O3S/c1-27-19-24(17-25-27)32(29,30)26-16-21-8-5-9-22(15-21)23(14-20-6-3-2-4-7-20)18-28-10-12-31-13-11-28/h2-9,15,17,19,23,26H,10-14,16,18H2,1H3
InChIKeyFMXDGIFSBYAIOK-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.56
Rot. Bonds9

About 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide

1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide (PubChem CID 56836673) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
PubChem CID56836673
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cccc(C(Cc3ccccc3)CN3CCOCC3)c2)cn1
InChIInChI=1S/C24H30N4O3S/c1-27-19-24(17-25-27)32(29,30)26-16-21-8-5-9-22(15-21)23(14-20-6-3-2-4-7-20)18-28-10-12-31-13-11-28/h2-9,15,17,19,23,26H,10-14,16,18H2,1H3
InChIKeyFMXDGIFSBYAIOK-UHFFFAOYSA-N
XLogP2.56
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide with MolForge

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Related Compounds

1-methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-pyrrolidin-3-yl)benzylamide
CID 56836106
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
trans-(1R,2S)-N-[[4-methoxy-1-(1-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 127030986
2-[3-[[(1-Methylpyrazol-4-yl)sulfonylamino]methyl]phenyl]-3-phenylpropanamide
CID 56836596
N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 57471412
US9156811, Ddd86314
CID 58561266
2-[2-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenylpropan-1-amine
CID 56847392
US9670210, Example 114 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302811
1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide
CID 19614785

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide (CID 56836673) is 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2cccc(C(Cc3ccccc3)CN3CCOCC3)c2)cn1.
What is the InChIKey of 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide?
The InChIKey is FMXDGIFSBYAIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-27-19-24(17-25-27)32(29,30)26-16-21-8-5-9-22(15-21)23(14-20-6-3-2-4-7-20)18-28-10-12-31-13-11-28/h2-9,15,17,19,23,26H,10-14,16,18H2,1H3.
What are the key properties of 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide?
1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide has a molecular weight of 454.60 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 56836673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).