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

C21H26ClN3O4S — CID 42561149

IUPACN-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C21H26ClN3O4S/c1-16(25(30(3,27)28)18-10-8-17(22)9-11-18)21(26)24-14-12-23(13-15-24)19-6-4-5-7-20(19)29-2/h4-11,16H,12-15H2,1-3H3/t16-/m1/s1
InChIKeyDCXBKVFMRSGKKK-MRXNPFEDSA-N
MW451.98 g/mol
LogP2.85
Rot. Bonds6

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

N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 42561149) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
PubChem CID42561149
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC NameN-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C21H26ClN3O4S/c1-16(25(30(3,27)28)18-10-8-17(22)9-11-18)21(26)24-14-12-23(13-15-24)19-6-4-5-7-20(19)29-2/h4-11,16H,12-15H2,1-3H3/t16-/m1/s1
InChIKeyDCXBKVFMRSGKKK-MRXNPFEDSA-N
XLogP2.85
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
CID 2967691
N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 2912073
N-(4-chlorophenyl)-N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 42561130
N-(4-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1145292
N-(4-ethoxyphenyl)-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 1163510
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110301118
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118554
N-[(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide
CID 41149870
2-(4-chloro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160162
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118793
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylmethanesulfonamide
CID 113136108

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (CID 42561149) is N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is DCXBKVFMRSGKKK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-16(25(30(3,27)28)18-10-8-17(22)9-11-18)21(26)24-14-12-23(13-15-24)19-6-4-5-7-20(19)29-2/h4-11,16H,12-15H2,1-3H3/t16-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 451.98 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 42561149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).