N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide

C25H31N5O4S — CID 45355654

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide
SMILESCc1ccc(NC(=O)C(C)N(C)Cc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H31N5O4S/c1-19-9-10-22(15-24(19)35(32,33)29-11-13-34-14-12-29)27-25(31)20(2)28(3)17-21-16-26-30(18-21)23-7-5-4-6-8-23/h4-10,15-16,18,20H,11-14,17H2,1-3H3,(H,27,31)
InChIKeyYCXAHPMGGNRQBY-UHFFFAOYSA-N
MW497.62 g/mol
LogP2.66
Rot. Bonds8

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide (PubChem CID 45355654) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide
PubChem CID45355654
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide
SMILESCc1ccc(NC(=O)C(C)N(C)Cc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H31N5O4S/c1-19-9-10-22(15-24(19)35(32,33)29-11-13-34-14-12-29)27-25(31)20(2)28(3)17-21-16-26-30(18-21)23-7-5-4-6-8-23/h4-10,15-16,18,20H,11-14,17H2,1-3H3,(H,27,31)
InChIKeyYCXAHPMGGNRQBY-UHFFFAOYSA-N
XLogP2.66
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 41136048
(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 40882761
(2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 40918682
(2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41094888
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
CID 26521362
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 42975600
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 46972255
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41144591
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
3-[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16539249

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide (CID 45355654) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide is Cc1ccc(NC(=O)C(C)N(C)Cc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide?
The InChIKey is YCXAHPMGGNRQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-19-9-10-22(15-24(19)35(32,33)29-11-13-34-14-12-29)27-25(31)20(2)28(3)17-21-16-26-30(18-21)23-7-5-4-6-8-23/h4-10,15-16,18,20H,11-14,17H2,1-3H3,(H,27,31).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide has a molecular weight of 497.62 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide is sourced from PubChem (CID 45355654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).