3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide

C16H19NO4S — CID 95192549

IUPAC3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide
SMILESCC[C@H](NC(=O)c1occc1C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO4S/c1-4-14(17-16(18)15-11(2)9-10-21-15)12-5-7-13(8-6-12)22(3,19)20/h5-10,14H,4H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyCTQXESPSQNIANW-AWEZNQCLSA-N
MW321.40 g/mol
LogP2.87
Rot. Bonds5

About 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide

3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide (PubChem CID 95192549) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide
PubChem CID95192549
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide
SMILESCC[C@H](NC(=O)c1occc1C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO4S/c1-4-14(17-16(18)15-11(2)9-10-21-15)12-5-7-13(8-6-12)22(3,19)20/h5-10,14H,4H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyCTQXESPSQNIANW-AWEZNQCLSA-N
XLogP2.87
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 84583373
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
2-iodo-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132672756
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide
CID 131919960
2-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-3-nitrobenzamide
CID 99995319
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728
N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189658
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50948945
2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132667426

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide (CID 95192549) is 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide is CC[C@H](NC(=O)c1occc1C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide?
The InChIKey is CTQXESPSQNIANW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-4-14(17-16(18)15-11(2)9-10-21-15)12-5-7-13(8-6-12)22(3,19)20/h5-10,14H,4H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide?
3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide is sourced from PubChem (CID 95192549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).