N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C17H25NO5S — CID 97040062

IUPACN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](CO)[C@H](O)C2)cc1
InChIInChI=1S/C17H25NO5S/c1-11(2)24(22,23)15-5-3-12(4-6-15)7-17(21)18-14-8-13(10-19)16(20)9-14/h3-6,11,13-14,16,19-20H,7-10H2,1-2H3,(H,18,21)/t13-,14-,16-/m1/s1
InChIKeyWSOBGDRBPXMHSZ-IIAWOOMASA-N
MW355.46 g/mol
LogP0.66
Rot. Bonds6

About N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 97040062) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID97040062
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC NameN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](CO)[C@H](O)C2)cc1
InChIInChI=1S/C17H25NO5S/c1-11(2)24(22,23)15-5-3-12(4-6-15)7-17(21)18-14-8-13(10-19)16(20)9-14/h3-6,11,13-14,16,19-20H,7-10H2,1-2H3,(H,18,21)/t13-,14-,16-/m1/s1
InChIKeyWSOBGDRBPXMHSZ-IIAWOOMASA-N
XLogP0.66
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide
CID 98783683
N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide
CID 136582744
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate
CID 82550592
2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011
2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide
CID 120601223
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435
N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771426
3-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528412
2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039908

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 97040062) is N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](CO)[C@H](O)C2)cc1.
What is the InChIKey of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is WSOBGDRBPXMHSZ-IIAWOOMASA-N. The full InChI is InChI=1S/C17H25NO5S/c1-11(2)24(22,23)15-5-3-12(4-6-15)7-17(21)18-14-8-13(10-19)16(20)9-14/h3-6,11,13-14,16,19-20H,7-10H2,1-2H3,(H,18,21)/t13-,14-,16-/m1/s1.
What are the key properties of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 97040062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).