N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide

C23H33N3O4S — CID 18352993

IUPACN-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide
SMILESCCN(CC1CCN(S(C)(=O)=O)CC1)C(C)Cc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H33N3O4S/c1-4-25(17-19-10-12-26(13-11-19)31(3,28)29)18(2)15-20-7-5-8-21(16-20)24-23(27)22-9-6-14-30-22/h5-9,14,16,18-19H,4,10-13,15,17H2,1-3H3,(H,24,27)
InChIKeyNQHYUBLSWMXYMQ-UHFFFAOYSA-N
MW447.60 g/mol
LogP3.46
Rot. Bonds9

About N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide

N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide (PubChem CID 18352993) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide
PubChem CID18352993
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC NameN-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide
SMILESCCN(CC1CCN(S(C)(=O)=O)CC1)C(C)Cc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H33N3O4S/c1-4-25(17-19-10-12-26(13-11-19)31(3,28)29)18(2)15-20-7-5-8-21(16-20)24-23(27)22-9-6-14-30-22/h5-9,14,16,18-19H,4,10-13,15,17H2,1-3H3,(H,24,27)
InChIKeyNQHYUBLSWMXYMQ-UHFFFAOYSA-N
XLogP3.46
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride
CID 18353213
1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 18352733
N-[3-[2-[(1-methylsulfonylpiperidin-4-yl)methyl-propylamino]propyl]phenyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 18353029
N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 18352901
1-(1,3-benzodioxol-5-yl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine;hydrochloride
CID 69144308
4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
CID 18353184
N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 47089613
4-[[1-(3-chlorophenyl)propan-2-yl-ethylamino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 18353084
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930034
N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 18353139
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide;hydrochloride
CID 18353138

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide (CID 18352993) is N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide is CCN(CC1CCN(S(C)(=O)=O)CC1)C(C)Cc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide?
The InChIKey is NQHYUBLSWMXYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-4-25(17-19-10-12-26(13-11-19)31(3,28)29)18(2)15-20-7-5-8-21(16-20)24-23(27)22-9-6-14-30-22/h5-9,14,16,18-19H,4,10-13,15,17H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide?
N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 18352993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).