N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide

C22H29N3O4S — CID 2967691

IUPACN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C22H29N3O4S/c1-17-9-11-19(12-10-17)25(30(4,27)28)18(2)22(26)24-15-13-23(14-16-24)20-7-5-6-8-21(20)29-3/h5-12,18H,13-16H2,1-4H3
InChIKeyNOWFVFAMMOMOLZ-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.51
Rot. Bonds6

About N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide

N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide (PubChem CID 2967691) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
PubChem CID2967691
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C22H29N3O4S/c1-17-9-11-19(12-10-17)25(30(4,27)28)18(2)22(26)24-15-13-23(14-16-24)20-7-5-6-8-21(20)29-3/h5-12,18H,13-16H2,1-4H3
InChIKeyNOWFVFAMMOMOLZ-UHFFFAOYSA-N
XLogP2.51
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide (CID 2967691) is N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide is COc1ccccc1N1CCN(C(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
The InChIKey is NOWFVFAMMOMOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-17-9-11-19(12-10-17)25(30(4,27)28)18(2)22(26)24-15-13-23(14-16-24)20-7-5-6-8-21(20)29-3/h5-12,18H,13-16H2,1-4H3.
What are the key properties of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide has a molecular weight of 431.56 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 2967691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).