N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide

C19H21N3O4S — CID 113011417

IUPACN-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(NCc3ccco3)nc2)cc1
InChIInChI=1S/C19H21N3O4S/c1-14(2)26-16-6-8-18(9-7-16)27(23,24)22-15-5-10-19(20-12-15)21-13-17-4-3-11-25-17/h3-12,14,22H,13H2,1-2H3,(H,20,21)
InChIKeyVNLCBGBMTGXHIW-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.87
Rot. Bonds8

About N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide

N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 113011417) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID113011417
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(NCc3ccco3)nc2)cc1
InChIInChI=1S/C19H21N3O4S/c1-14(2)26-16-6-8-18(9-7-16)27(23,24)22-15-5-10-19(20-12-15)21-13-17-4-3-11-25-17/h3-12,14,22H,13H2,1-2H3,(H,20,21)
InChIKeyVNLCBGBMTGXHIW-UHFFFAOYSA-N
XLogP3.87
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026320
4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113026312
5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine
CID 113011375
5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 113011418
N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024078
6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112858660
4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981847
N-[4-[[6-(furan-2-ylmethylamino)pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113040735
N-[5-(cyclopentylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024552
4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011637
4-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109209555
6-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155336

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide (CID 113011417) is N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(NCc3ccco3)nc2)cc1.
What is the InChIKey of N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is VNLCBGBMTGXHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-14(2)26-16-6-8-18(9-7-16)27(23,24)22-15-5-10-19(20-12-15)21-13-17-4-3-11-25-17/h3-12,14,22H,13H2,1-2H3,(H,20,21).
What are the key properties of N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 113011417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).