N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide

C16H21NO4S — CID 99873213

IUPACN-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)N[C@@H](C)Cc2ccoc2)cc1
InChIInChI=1S/C16H21NO4S/c1-13(11-15-7-9-21-12-15)17-22(18,19)10-8-14-3-5-16(20-2)6-4-14/h3-7,9,12-13,17H,8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyBGICONQEXXVJAF-ZDUSSCGKSA-N
MW323.41 g/mol
LogP2.38
Rot. Bonds8

About N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide

N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 99873213) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID99873213
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC NameN-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)N[C@@H](C)Cc2ccoc2)cc1
InChIInChI=1S/C16H21NO4S/c1-13(11-15-7-9-21-12-15)17-22(18,19)10-8-14-3-5-16(20-2)6-4-14/h3-7,9,12-13,17H,8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyBGICONQEXXVJAF-ZDUSSCGKSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226
N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 115711421
N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 119104185
1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide
CID 121127157
[1-(furan-3-yl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205423
N-[1-(furan-3-yl)propan-2-yl]-1-(3-methylphenyl)methanesulfonamide
CID 121127099
3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 97030655
2-(furan-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 83175778
N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide
CID 121127019
1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65444925
N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide
CID 146127845
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide (CID 99873213) is N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)N[C@@H](C)Cc2ccoc2)cc1.
What is the InChIKey of N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is BGICONQEXXVJAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-13(11-15-7-9-21-12-15)17-22(18,19)10-8-14-3-5-16(20-2)6-4-14/h3-7,9,12-13,17H,8,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide?
N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 323.41 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 99873213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).