N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C18H28N2O4S — CID 29261965

IUPACN-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H28N2O4S/c1-13-8-10-20(11-9-13)17(21)14-6-7-15(24-5)16(12-14)25(22,23)19-18(2,3)4/h6-7,12-13,19H,8-11H2,1-5H3
InChIKeyWWLAXRUVYCOZAW-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.64
Rot. Bonds4

About N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 29261965) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID29261965
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H28N2O4S/c1-13-8-10-20(11-9-13)17(21)14-6-7-15(24-5)16(12-14)25(22,23)19-18(2,3)4/h6-7,12-13,19H,8-11H2,1-5H3
InChIKeyWWLAXRUVYCOZAW-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 29262539
N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide
CID 55987183
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide
CID 55949490
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
(3S)-1-[4-methoxy-3-(methylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125118224
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843
5-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 55685294
[1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949051
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 95285624
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
CID 119519103

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 29261965) is N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is COc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is WWLAXRUVYCOZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-13-8-10-20(11-9-13)17(21)14-6-7-15(24-5)16(12-14)25(22,23)19-18(2,3)4/h6-7,12-13,19H,8-11H2,1-5H3.
What are the key properties of N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 29261965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).