N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine

C17H25N3O3S — CID 55627832

IUPACN-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)S(=O)(=O)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C17H25N3O3S/c1-3-10-19(11-4-2)24(21,22)20(15-17-8-6-12-23-17)14-16-7-5-9-18-13-16/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3
InChIKeyWESCZQFEOAEIQX-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.04
Rot. Bonds10

About N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine

N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine (PubChem CID 55627832) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
PubChem CID55627832
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)S(=O)(=O)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C17H25N3O3S/c1-3-10-19(11-4-2)24(21,22)20(15-17-8-6-12-23-17)14-16-7-5-9-18-13-16/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3
InChIKeyWESCZQFEOAEIQX-UHFFFAOYSA-N
XLogP3.04
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 25336701
2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668532
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668627
N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 30660804
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 30668612
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
N-carbamoyl-2-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide
CID 75519007
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 64585550
lithium N,N-bis(pyridin-3-ylmethyl)sulfamate
CID 153347507
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine?
The IUPAC name of N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine (CID 55627832) is N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine is CCCN(CCC)S(=O)(=O)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine?
The InChIKey is WESCZQFEOAEIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-3-10-19(11-4-2)24(21,22)20(15-17-8-6-12-23-17)14-16-7-5-9-18-13-16/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3.
What are the key properties of N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine?
N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine has a molecular weight of 351.47 g/mol, XLogP of 3.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine is sourced from PubChem (CID 55627832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).