N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide

C16H21NO4S — CID 121145620

IUPACN-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(OC)c2ccco2)cc1
InChIInChI=1S/C16H21NO4S/c1-3-5-13-7-9-14(10-8-13)22(18,19)17-12-16(20-2)15-6-4-11-21-15/h4,6-11,16-17H,3,5,12H2,1-2H3
InChIKeyACGNMBCRPCOXSY-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.90
Rot. Bonds8

About N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide

N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide (PubChem CID 121145620) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide
PubChem CID121145620
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC NameN-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(OC)c2ccco2)cc1
InChIInChI=1S/C16H21NO4S/c1-3-5-13-7-9-14(10-8-13)22(18,19)17-12-16(20-2)15-6-4-11-21-15/h4,6-11,16-17H,3,5,12H2,1-2H3
InChIKeyACGNMBCRPCOXSY-UHFFFAOYSA-N
XLogP2.90
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876447
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxybenzenesulfonamide
CID 121145607
N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 90623072
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 121145624
4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide
CID 121145658
2,6-difluoro-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876460
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide
CID 121145601
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
4-(2-chloroethyl)-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 28719373

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide (CID 121145620) is N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC(OC)c2ccco2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide?
The InChIKey is ACGNMBCRPCOXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-3-5-13-7-9-14(10-8-13)22(18,19)17-12-16(20-2)15-6-4-11-21-15/h4,6-11,16-17H,3,5,12H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide?
N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide has a molecular weight of 323.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 121145620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).