N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide

C17H27N3O4S — CID 95186250

IUPACN-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
SMILESCCN1CCN(C(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H27N3O4S/c1-5-18-9-11-19(12-10-18)17(21)14(2)20(25(4,22)23)15-7-6-8-16(13-15)24-3/h6-8,13-14H,5,9-12H2,1-4H3/t14-/m1/s1
InChIKeySWRDIRRWAYQHRW-CQSZACIVSA-N
MW369.49 g/mol
LogP1.01
Rot. Bonds6

About N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide

N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide (PubChem CID 95186250) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
PubChem CID95186250
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
SMILESCCN1CCN(C(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H27N3O4S/c1-5-18-9-11-19(12-10-18)17(21)14(2)20(25(4,22)23)15-7-6-8-16(13-15)24-3/h6-8,13-14H,5,9-12H2,1-4H3/t14-/m1/s1
InChIKeySWRDIRRWAYQHRW-CQSZACIVSA-N
XLogP1.01
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
CID 95118493
N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide
CID 53281423
ethyl 4-[(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate
CID 8991491
ethyl 4-[2-(3,4-dimethoxy-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate
CID 132672880
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118554
N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide
CID 56699753
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118793
N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95196387
N-(3,4-dimethylphenyl)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 2972905
N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
CID 95119028
2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133204189
ethyl 4-[(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate
CID 2237096

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide (CID 95186250) is N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide is CCN1CCN(C(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is SWRDIRRWAYQHRW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-5-18-9-11-19(12-10-18)17(21)14(2)20(25(4,22)23)15-7-6-8-16(13-15)24-3/h6-8,13-14H,5,9-12H2,1-4H3/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide?
N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 95186250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).