N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide

C18H23NO5S — CID 121085545

IUPACN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCC(O)(c2ccco2)C2CC2)c1
InChIInChI=1S/C18H23NO5S/c1-3-13-6-9-15(23-2)16(11-13)25(21,22)19-12-18(20,14-7-8-14)17-5-4-10-24-17/h4-6,9-11,14,19-20H,3,7-8,12H2,1-2H3
InChIKeyYTZHYBZXZQTESK-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.43
Rot. Bonds8

About N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide (PubChem CID 121085545) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide
PubChem CID121085545
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCC(O)(c2ccco2)C2CC2)c1
InChIInChI=1S/C18H23NO5S/c1-3-13-6-9-15(23-2)16(11-13)25(21,22)19-12-18(20,14-7-8-14)17-5-4-10-24-17/h4-6,9-11,14,19-20H,3,7-8,12H2,1-2H3
InChIKeyYTZHYBZXZQTESK-UHFFFAOYSA-N
XLogP2.43
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide
CID 95982384
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 71781508
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 121085546
5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide
CID 90523863
3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide
CID 121085513
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95982356
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide
CID 71781761
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methoxyphenyl)urea
CID 121085638
N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 129355075
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide (CID 121085545) is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)NCC(O)(c2ccco2)C2CC2)c1.
What is the InChIKey of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is YTZHYBZXZQTESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-3-13-6-9-15(23-2)16(11-13)25(21,22)19-12-18(20,14-7-8-14)17-5-4-10-24-17/h4-6,9-11,14,19-20H,3,7-8,12H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide?
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 121085545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).