N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide

C23H31N3O4S — CID 55589275

IUPACN-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C23H31N3O4S/c1-18(2)25-12-14-26(15-13-25)23(27)20-10-11-21(30-4)22(16-20)31(28,29)24(3)17-19-8-6-5-7-9-19/h5-11,16,18H,12-15,17H2,1-4H3
InChIKeyVMQNRYLGRBTFDW-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.68
Rot. Bonds7

About N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide

N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 55589275) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID55589275
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C23H31N3O4S/c1-18(2)25-12-14-26(15-13-25)23(27)20-10-11-21(30-4)22(16-20)31(28,29)24(3)17-19-8-6-5-7-9-19/h5-11,16,18H,12-15,17H2,1-4H3
InChIKeyVMQNRYLGRBTFDW-UHFFFAOYSA-N
XLogP2.68
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 26290496
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate
CID 55514916
2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17027735
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 31118187
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid
CID 62335009
3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 40984734
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 55387091

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 55589275) is N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide is COc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is VMQNRYLGRBTFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-18(2)25-12-14-26(15-13-25)23(27)20-10-11-21(30-4)22(16-20)31(28,29)24(3)17-19-8-6-5-7-9-19/h5-11,16,18H,12-15,17H2,1-4H3.
What are the key properties of N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 445.59 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55589275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).