(2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H30N4O2S — CID 97071497

IUPAC(2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ccc([C@@H](CNC(=O)[C@@H](C)c2c(C)nn(C)c2C)N2CCOCC2)s1
InChIInChI=1S/C20H30N4O2S/c1-13-6-7-18(27-13)17(24-8-10-26-11-9-24)12-21-20(25)14(2)19-15(3)22-23(5)16(19)4/h6-7,14,17H,8-12H2,1-5H3,(H,21,25)/t14-,17+/m0/s1
InChIKeyCESDYLLQZROAJP-WMLDXEAASA-N
MW390.55 g/mol
LogP2.70
Rot. Bonds6

About (2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 97071497) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID97071497
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name(2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ccc([C@@H](CNC(=O)[C@@H](C)c2c(C)nn(C)c2C)N2CCOCC2)s1
InChIInChI=1S/C20H30N4O2S/c1-13-6-7-18(27-13)17(24-8-10-26-11-9-24)12-21-20(25)14(2)19-15(3)22-23(5)16(19)4/h6-7,14,17H,8-12H2,1-5H3,(H,21,25)/t14-,17+/m0/s1
InChIKeyCESDYLLQZROAJP-WMLDXEAASA-N
XLogP2.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71863736
2-methyl-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111721914
2-(2-methylpropyl)-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111721957
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylpropanamide
CID 75424213
(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 95751301
2-benzyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 119233623
1-N'-(4-fluorophenyl)-1-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]cyclopropane-1,1-dicarboxamide
CID 97006890
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine
CID 154805489
2-methyl-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-pentylguanidine
CID 111966041
1-(2-methoxyethyl)-2-methyl-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111965889
2-methyl-1-[(4-methylphenyl)methyl]-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111966221
(2R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyrazol-1-ylpropanamide
CID 94036104

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 97071497) is (2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1ccc([C@@H](CNC(=O)[C@@H](C)c2c(C)nn(C)c2C)N2CCOCC2)s1.
What is the InChIKey of (2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is CESDYLLQZROAJP-WMLDXEAASA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-13-6-7-18(27-13)17(24-8-10-26-11-9-24)12-21-20(25)14(2)19-15(3)22-23(5)16(19)4/h6-7,14,17H,8-12H2,1-5H3,(H,21,25)/t14-,17+/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 390.55 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 97071497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).