[5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone

C21H30N2O3S — CID 42851033

IUPAC[5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(CN(CCC(C)C)Cc2ccc(C(=O)N3CCOCC3)o2)s1
InChIInChI=1S/C21H30N2O3S/c1-16(2)8-9-22(15-19-6-4-17(3)27-19)14-18-5-7-20(26-18)21(24)23-10-12-25-13-11-23/h4-7,16H,8-15H2,1-3H3
InChIKeyHFWUNBQNGMQQOG-UHFFFAOYSA-N
MW390.55 g/mol
LogP4.17
Rot. Bonds8

About [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone

[5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 42851033) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone
PubChem CID42851033
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC Name[5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(CN(CCC(C)C)Cc2ccc(C(=O)N3CCOCC3)o2)s1
InChIInChI=1S/C21H30N2O3S/c1-16(2)8-9-22(15-19-6-4-17(3)27-19)14-18-5-7-20(26-18)21(24)23-10-12-25-13-11-23/h4-7,16H,8-15H2,1-3H3
InChIKeyHFWUNBQNGMQQOG-UHFFFAOYSA-N
XLogP4.17
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 42858001
methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate
CID 46014958
5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 46043675
[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 42851016
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
morpholin-4-yl-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 35762490
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
1-[5-(morpholine-4-carbonyl)furan-2-yl]ethanone
CID 162740880
ethyl 1-[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 46043649
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104937
(2R)-1-[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163679

Frequently Asked Questions

What is the IUPAC name of [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone (CID 42851033) is [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone is Cc1ccc(CN(CCC(C)C)Cc2ccc(C(=O)N3CCOCC3)o2)s1.
What is the InChIKey of [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is HFWUNBQNGMQQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-16(2)8-9-22(15-19-6-4-17(3)27-19)14-18-5-7-20(26-18)21(24)23-10-12-25-13-11-23/h4-7,16H,8-15H2,1-3H3.
What are the key properties of [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone?
[5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 390.55 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42851033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).