N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide

C18H23N3O4S — CID 135087501

IUPACN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide
SMILESNS(=O)(=O)CCCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C18H23N3O4S/c19-26(23,24)9-3-6-18(22)21-17-12-25-11-14(17)10-13-7-8-20-16-5-2-1-4-15(13)16/h1-2,4-5,7-8,14,17H,3,6,9-12H2,(H,21,22)(H2,19,23,24)/t14-,17-/m1/s1
InChIKeyZIFAAZPLIIDQMH-RHSMWYFYSA-N
MW377.47 g/mol
LogP0.98
Rot. Bonds7

About N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide (PubChem CID 135087501) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide
PubChem CID135087501
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide
SMILESNS(=O)(=O)CCCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C18H23N3O4S/c19-26(23,24)9-3-6-18(22)21-17-12-25-11-14(17)10-13-7-8-20-16-5-2-1-4-15(13)16/h1-2,4-5,7-8,14,17H,3,6,9-12H2,(H,21,22)(H2,19,23,24)/t14-,17-/m1/s1
InChIKeyZIFAAZPLIIDQMH-RHSMWYFYSA-N
XLogP0.98
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide?
The IUPAC name of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide (CID 135087501) is N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide.
What is the SMILES notation for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide?
The canonical SMILES for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide is NS(=O)(=O)CCCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide?
The InChIKey is ZIFAAZPLIIDQMH-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c19-26(23,24)9-3-6-18(22)21-17-12-25-11-14(17)10-13-7-8-20-16-5-2-1-4-15(13)16/h1-2,4-5,7-8,14,17H,3,6,9-12H2,(H,21,22)(H2,19,23,24)/t14-,17-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide?
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide has a molecular weight of 377.47 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide is sourced from PubChem (CID 135087501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).