3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide

C19H28N2O5S — CID 110631466

IUPAC3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-15(23)21-16-5-7-17(8-6-16)27(25,26)12-9-18(24)20-13-19(14-22)10-3-2-4-11-19/h5-8,22H,2-4,9-14H2,1H3,(H,20,24)(H,21,23)
InChIKeyCPBPMUCGTYOQTI-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.87
Rot. Bonds8

About 3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide

3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide (PubChem CID 110631466) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
PubChem CID110631466
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-15(23)21-16-5-7-17(8-6-16)27(25,26)12-9-18(24)20-13-19(14-22)10-3-2-4-11-19/h5-8,22H,2-4,9-14H2,1H3,(H,20,24)(H,21,23)
InChIKeyCPBPMUCGTYOQTI-UHFFFAOYSA-N
XLogP1.87
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
3-(4-tert-butylphenyl)sulfonyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide
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N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
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3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 17475695
3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 110407414
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide
CID 115360724
N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-(benzenesulfonyl)propanamide
CID 90551701

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide (CID 110631466) is 3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC2(CO)CCCCC2)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The InChIKey is CPBPMUCGTYOQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-15(23)21-16-5-7-17(8-6-16)27(25,26)12-9-18(24)20-13-19(14-22)10-3-2-4-11-19/h5-8,22H,2-4,9-14H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide has a molecular weight of 396.51 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 110631466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).