(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

C19H25N3O3S2 — CID 8512379

IUPAC(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H25N3O3S2/c1-16(19(23)20(2)15-17-7-4-3-5-8-17)21-10-12-22(13-11-21)27(24,25)18-9-6-14-26-18/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m1/s1
InChIKeyNBLDPJCGHREQCG-MRXNPFEDSA-N
MW407.56 g/mol
LogP2.10
Rot. Bonds6

About (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide (PubChem CID 8512379) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
PubChem CID8512379
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H25N3O3S2/c1-16(19(23)20(2)15-17-7-4-3-5-8-17)21-10-12-22(13-11-21)27(24,25)18-9-6-14-26-18/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m1/s1
InChIKeyNBLDPJCGHREQCG-MRXNPFEDSA-N
XLogP2.10
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 86919646
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
CID 95610823
(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492888
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341656
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680288
N'-hydroxy-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanimidamide
CID 77012619
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 8686697
(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 2399708

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide (CID 8512379) is (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide is C[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is NBLDPJCGHREQCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-16(19(23)20(2)15-17-7-4-3-5-8-17)21-10-12-22(13-11-21)27(24,25)18-9-6-14-26-18/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 407.56 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 8512379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).