4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C16H24N2O5S — CID 40769366

IUPAC4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C16H24N2O5S/c1-12(11-22-2)17-24(20,21)13-6-7-15(23-3)14(10-13)16(19)18-8-4-5-9-18/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyBFTUDHXPDJNSKB-LBPRGKRZSA-N
MW356.44 g/mol
LogP1.24
Rot. Bonds7

About 4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 40769366) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID40769366
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C16H24N2O5S/c1-12(11-22-2)17-24(20,21)13-6-7-15(23-3)14(10-13)16(19)18-8-4-5-9-18/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyBFTUDHXPDJNSKB-LBPRGKRZSA-N
XLogP1.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17200530
4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 92677584
3-(azepane-1-carbonyl)-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 100768633
4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 9314889
3-(azepane-1-carbonyl)-4-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 46771236
3-(azepane-1-carbonyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 100735815
3-(azepane-1-carbonyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 30393288
3-(azepane-1-carbonyl)-4-methoxy-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43885368
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 100566892
4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 28569021
N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280909

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 40769366) is 4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1.
What is the InChIKey of 4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is BFTUDHXPDJNSKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-12(11-22-2)17-24(20,21)13-6-7-15(23-3)14(10-13)16(19)18-8-4-5-9-18/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3/t12-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 356.44 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 40769366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).