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

C17H24N2O5S — CID 110626468

IUPAC3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-13(20)19-14-4-6-15(7-5-14)25(23,24)11-8-16(21)18-12-17(22)9-2-3-10-17/h4-7,22H,2-3,8-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyXMZXMHRZUXSJQE-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.23
Rot. Bonds7

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

3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 110626468) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID110626468
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-13(20)19-14-4-6-15(7-5-14)25(23,24)11-8-16(21)18-12-17(22)9-2-3-10-17/h4-7,22H,2-3,8-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyXMZXMHRZUXSJQE-UHFFFAOYSA-N
XLogP1.23
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 110626468) is 3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC2(O)CCCC2)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is XMZXMHRZUXSJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-13(20)19-14-4-6-15(7-5-14)25(23,24)11-8-16(21)18-12-17(22)9-2-3-10-17/h4-7,22H,2-3,8-12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 368.46 g/mol, XLogP of 1.23, 7 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-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 110626468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).