N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide

C24H33NO6S — CID 10276555

IUPACN-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide
SMILESCCCCCC(O)c1cc(-c2ccc(CS(=O)(=O)CC(=O)NCCO)cc2)ccc1OC
InChIInChI=1S/C24H33NO6S/c1-3-4-5-6-22(27)21-15-20(11-12-23(21)31-2)19-9-7-18(8-10-19)16-32(29,30)17-24(28)25-13-14-26/h7-12,15,22,26-27H,3-6,13-14,16-17H2,1-2H3,(H,25,28)
InChIKeyBUSCXWCTGCVQKU-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.00
Rot. Bonds13

About N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide

N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide (PubChem CID 10276555) has the molecular formula C24H33NO6S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide
PubChem CID10276555
Molecular FormulaC24H33NO6S
Molecular Weight463.60 g/mol
Exact Mass463.20
IUPAC NameN-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide
SMILESCCCCCC(O)c1cc(-c2ccc(CS(=O)(=O)CC(=O)NCCO)cc2)ccc1OC
InChIInChI=1S/C24H33NO6S/c1-3-4-5-6-22(27)21-15-20(11-12-23(21)31-2)19-9-7-18(8-10-19)16-32(29,30)17-24(28)25-13-14-26/h7-12,15,22,26-27H,3-6,13-14,16-17H2,1-2H3,(H,25,28)
InChIKeyBUSCXWCTGCVQKU-UHFFFAOYSA-N
XLogP3.00
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
CID 10178679
ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide
CID 142167262
2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
CID 142167238
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
N-butyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 86923016
1-(5-bromo-2-methoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 65145596
2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide
CID 17225153
2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 96662357
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
5-[2-(butylamino)-2-oxoethyl]-2-methoxybenzenesulfonyl chloride
CID 65367934

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide (CID 10276555) is N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide is CCCCCC(O)c1cc(-c2ccc(CS(=O)(=O)CC(=O)NCCO)cc2)ccc1OC.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide?
The InChIKey is BUSCXWCTGCVQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO6S/c1-3-4-5-6-22(27)21-15-20(11-12-23(21)31-2)19-9-7-18(8-10-19)16-32(29,30)17-24(28)25-13-14-26/h7-12,15,22,26-27H,3-6,13-14,16-17H2,1-2H3,(H,25,28).
What are the key properties of N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide?
N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide has a molecular weight of 463.60 g/mol, XLogP of 3.00, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide is sourced from PubChem (CID 10276555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).