N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide

C19H27ClN2O5S — CID 54642579

IUPACN-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H]1CO
InChIInChI=1S/C19H27ClN2O5S/c20-14-3-6-16(7-4-14)28(25,26)21-10-9-15-5-8-17(18(12-23)27-15)22-19(24)11-13-1-2-13/h3-4,6-7,13,15,17-18,21,23H,1-2,5,8-12H2,(H,22,24)/t15-,17+,18-/m1/s1
InChIKeyFUGUPZYYJLVMMY-BPQIPLTHSA-N
MW430.95 g/mol
LogP1.83
Rot. Bonds9

About N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide

N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide (PubChem CID 54642579) has the molecular formula C19H27ClN2O5S and a molecular weight of 430.95 g/mol. Its IUPAC name is N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide
PubChem CID54642579
Molecular FormulaC19H27ClN2O5S
Molecular Weight430.95 g/mol
Exact Mass430.13
IUPAC NameN-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H]1CO
InChIInChI=1S/C19H27ClN2O5S/c20-14-3-6-16(7-4-14)28(25,26)21-10-9-15-5-8-17(18(12-23)27-15)22-19(24)11-13-1-2-13/h3-4,6-7,13,15,17-18,21,23H,1-2,5,8-12H2,(H,22,24)/t15-,17+,18-/m1/s1
InChIKeyFUGUPZYYJLVMMY-BPQIPLTHSA-N
XLogP1.83
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide with MolForge

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Related Compounds

2-cyclopropyl-N-[(2S,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]acetamide
CID 54642593
N-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide
CID 54641580
N-[(2R,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
CID 54638908
N-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
CID 54638907
1-[(2R,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2-methoxyphenyl)urea
CID 54644341
N-[(2R,3R,6R)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-(dimethylamino)acetamide
CID 54641384
N-[(2S,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
CID 54644142
1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]-3-propan-2-ylurea
CID 54643267
1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]-3-propan-2-ylurea
CID 54643264
N-[(2R,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzamide
CID 54643954
1-(2-fluorophenyl)-3-[(2S,3S,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]urea
CID 54644579
1-[(2R,3S,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2-fluorophenyl)urea
CID 54644534

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide?
The IUPAC name of N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide (CID 54642579) is N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide?
The canonical SMILES for N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide is O=C(CC1CC1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H]1CO.
What is the InChIKey of N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide?
The InChIKey is FUGUPZYYJLVMMY-BPQIPLTHSA-N. The full InChI is InChI=1S/C19H27ClN2O5S/c20-14-3-6-16(7-4-14)28(25,26)21-10-9-15-5-8-17(18(12-23)27-15)22-19(24)11-13-1-2-13/h3-4,6-7,13,15,17-18,21,23H,1-2,5,8-12H2,(H,22,24)/t15-,17+,18-/m1/s1.
What are the key properties of N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide?
N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide has a molecular weight of 430.95 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide is sourced from PubChem (CID 54642579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).