(2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C25H31N5O4S — CID 41136048

IUPAC(2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C25H31N5O4S/c1-20(28(2)17-22-16-26-29(19-22)18-21-6-4-3-5-7-21)25(31)27-23-8-10-24(11-9-23)35(32,33)30-12-14-34-15-13-30/h3-11,16,19-20H,12-15,17-18H2,1-2H3,(H,27,31)/t20-/m1/s1
InChIKeyJZEJFJLDQAHZCN-HXUWFJFHSA-N
MW497.62 g/mol
LogP2.41
Rot. Bonds9

About (2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

(2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 41136048) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is (2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID41136048
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC Name(2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C25H31N5O4S/c1-20(28(2)17-22-16-26-29(19-22)18-21-6-4-3-5-7-21)25(31)27-23-8-10-24(11-9-23)35(32,33)30-12-14-34-15-13-30/h3-11,16,19-20H,12-15,17-18H2,1-2H3,(H,27,31)/t20-/m1/s1
InChIKeyJZEJFJLDQAHZCN-HXUWFJFHSA-N
XLogP2.41
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 40882761
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]propan-1-one
CID 40810316
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide
CID 45355654
2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 45356007
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8517812
(2R)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8516869
[(2S)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 98405946
2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4655484
2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 19562503
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9054681
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 41136048) is (2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)Cc1cnn(Cc2ccccc2)c1.
What is the InChIKey of (2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is JZEJFJLDQAHZCN-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-20(28(2)17-22-16-26-29(19-22)18-21-6-4-3-5-7-21)25(31)27-23-8-10-24(11-9-23)35(32,33)30-12-14-34-15-13-30/h3-11,16,19-20H,12-15,17-18H2,1-2H3,(H,27,31)/t20-/m1/s1.
What are the key properties of (2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
(2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 497.62 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 41136048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).