N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H30N4O2S — CID 71863736

IUPACN-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C(C)C(=O)N(C)CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C20H30N4O2S/c1-14(19-15(2)21-23(5)16(19)3)20(25)22(4)13-17(18-7-6-12-27-18)24-8-10-26-11-9-24/h6-7,12,14,17H,8-11,13H2,1-5H3
InChIKeyLAAHQDRFCKZMJG-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.73
Rot. Bonds6

About N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 71863736) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID71863736
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC NameN-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C(C)C(=O)N(C)CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C20H30N4O2S/c1-14(19-15(2)21-23(5)16(19)3)20(25)22(4)13-17(18-7-6-12-27-18)24-8-10-26-11-9-24/h6-7,12,14,17H,8-11,13H2,1-5H3
InChIKeyLAAHQDRFCKZMJG-UHFFFAOYSA-N
XLogP2.73
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119880785
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CID 94821421
(2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97071497
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CID 119880763
N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 119880751
2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119880788
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CID 119880755
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111783891
(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol
CID 99787684
(2S)-N-methyl-2-morpholin-4-yl-N-(2-propan-2-yloxyethyl)-2-thiophen-2-ylethanamine
CID 97085403
N-[2-[methyl-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]ethyl]methanesulfonamide
CID 96998377
2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 71863736) is N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1C(C)C(=O)N(C)CC(c1cccs1)N1CCOCC1.
What is the InChIKey of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is LAAHQDRFCKZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-14(19-15(2)21-23(5)16(19)3)20(25)22(4)13-17(18-7-6-12-27-18)24-8-10-26-11-9-24/h6-7,12,14,17H,8-11,13H2,1-5H3.
What are the key properties of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 390.55 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71863736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).