N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide

C18H25NO5S — CID 91774030

IUPACN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cc1
InChIInChI=1S/C18H25NO5S/c1-25(21,22)15-6-4-13(5-7-15)10-18(20)19-16-12-23-9-8-17(16)24-11-14-2-3-14/h4-7,14,16-17H,2-3,8-12H2,1H3,(H,19,20)/t16-,17+/m1/s1
InChIKeyZZIKUZNOMUQDBI-SJORKVTESA-N
MW367.47 g/mol
LogP1.33
Rot. Bonds7

About N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 91774030) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide
PubChem CID91774030
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cc1
InChIInChI=1S/C18H25NO5S/c1-25(21,22)15-6-4-13(5-7-15)10-18(20)19-16-12-23-9-8-17(16)24-11-14-2-3-14/h4-7,14,16-17H,2-3,8-12H2,1H3,(H,19,20)/t16-,17+/m1/s1
InChIKeyZZIKUZNOMUQDBI-SJORKVTESA-N
XLogP1.33
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 71792706
CID 71792706
CID 71804874
CID 71804874
CID 91774819
CID 91774819
CID 127717793
CID 127717793
CID 142811390
CID 142811390
CID 136562275
CID 136562275
CID 3546363
CID 3546363
CID 4059201
CID 4059201
CID 4069396
CID 4069396
CID 4085179
CID 4085179
CID 4206506
CID 4206506
CID 45558685
CID 45558685

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide (CID 91774030) is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cc1.
What is the InChIKey of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is ZZIKUZNOMUQDBI-SJORKVTESA-N. The full InChI is InChI=1S/C18H25NO5S/c1-25(21,22)15-6-4-13(5-7-15)10-18(20)19-16-12-23-9-8-17(16)24-11-14-2-3-14/h4-7,14,16-17H,2-3,8-12H2,1H3,(H,19,20)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 91774030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).