N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C23H29N3O5S — CID 20936133

IUPACN-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCN(Cc1ccco1)C1CCCC1
InChIInChI=1S/C23H29N3O5S/c1-17-14-22(31-25-17)18-9-10-21(29-2)23(15-18)32(27,28)24-11-12-26(19-6-3-4-7-19)16-20-8-5-13-30-20/h5,8-10,13-15,19,24H,3-4,6-7,11-12,16H2,1-2H3
InChIKeyNSJDFOCVBPRUEB-UHFFFAOYSA-N
MW459.57 g/mol
LogP3.97
Rot. Bonds10

About N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20936133) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID20936133
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCN(Cc1ccco1)C1CCCC1
InChIInChI=1S/C23H29N3O5S/c1-17-14-22(31-25-17)18-9-10-21(29-2)23(15-18)32(27,28)24-11-12-26(19-6-3-4-7-19)16-20-8-5-13-30-20/h5,8-10,13-15,19,24H,3-4,6-7,11-12,16H2,1-2H3
InChIKeyNSJDFOCVBPRUEB-UHFFFAOYSA-N
XLogP3.97
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20936133) is N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCN(Cc1ccco1)C1CCCC1.
What is the InChIKey of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is NSJDFOCVBPRUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-17-14-22(31-25-17)18-9-10-21(29-2)23(15-18)32(27,28)24-11-12-26(19-6-3-4-7-19)16-20-8-5-13-30-20/h5,8-10,13-15,19,24H,3-4,6-7,11-12,16H2,1-2H3.
What are the key properties of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 459.57 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20936133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).