3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

C17H26N2O5S — CID 126395227

IUPAC3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C)CC2)cc1OC
InChIInChI=1S/C17H26N2O5S/c1-12-7-9-19(10-8-12)17(20)13(2)18-25(21,22)14-5-6-15(23-3)16(11-14)24-4/h5-6,11-13,18H,7-10H2,1-4H3/t13-/m0/s1
InChIKeyLBLQHPIVXYKVHP-ZDUSSCGKSA-N
MW370.47 g/mol
LogP1.63
Rot. Bonds6

About 3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 126395227) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID126395227
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C)CC2)cc1OC
InChIInChI=1S/C17H26N2O5S/c1-12-7-9-19(10-8-12)17(20)13(2)18-25(21,22)14-5-6-15(23-3)16(11-14)24-4/h5-6,11-13,18H,7-10H2,1-4H3/t13-/m0/s1
InChIKeyLBLQHPIVXYKVHP-ZDUSSCGKSA-N
XLogP1.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 7369499
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 100566892
3-chloro-4-methoxy-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 29105745
3-chloro-4-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 43888960
3-chloro-4-methoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30143189
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 3970526
2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 87033324
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474
methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
2,5-dichloro-N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 126392685
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 133186544

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (CID 126395227) is 3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is LBLQHPIVXYKVHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-12-7-9-19(10-8-12)17(20)13(2)18-25(21,22)14-5-6-15(23-3)16(11-14)24-4/h5-6,11-13,18H,7-10H2,1-4H3/t13-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 126395227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).