3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

C18H23N3O4S — CID 135107135

IUPAC3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCS(=O)(=O)NCCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C18H23N3O4S/c1-26(23,24)20-9-7-18(22)21-17-12-25-11-14(17)10-13-6-8-19-16-5-3-2-4-15(13)16/h2-6,8,14,17,20H,7,9-12H2,1H3,(H,21,22)/t14-,17+/m1/s1
InChIKeyMKDYEGCJLGIQJI-PBHICJAKSA-N
MW377.47 g/mol
LogP0.85
Rot. Bonds7

About 3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide (PubChem CID 135107135) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
PubChem CID135107135
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCS(=O)(=O)NCCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C18H23N3O4S/c1-26(23,24)20-9-7-18(22)21-17-12-25-11-14(17)10-13-6-8-19-16-5-3-2-4-15(13)16/h2-6,8,14,17,20H,7,9-12H2,1H3,(H,21,22)/t14-,17+/m1/s1
InChIKeyMKDYEGCJLGIQJI-PBHICJAKSA-N
XLogP0.85
TPSA97.39 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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide
CID 135087501
3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 156584575
4-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918903
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide
CID 134707067
3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134701669
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135104245
3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705697
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135102279
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225
N'-(3-ethylphenyl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanediamide
CID 134710720

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide (CID 135107135) is 3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide is CS(=O)(=O)NCCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of 3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The InChIKey is MKDYEGCJLGIQJI-PBHICJAKSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-26(23,24)20-9-7-18(22)21-17-12-25-11-14(17)10-13-6-8-19-16-5-3-2-4-15(13)16/h2-6,8,14,17,20H,7,9-12H2,1H3,(H,21,22)/t14-,17+/m1/s1.
What are the key properties of 3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide has a molecular weight of 377.47 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 135107135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).