(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide

C17H27N3O4S — CID 9493027

IUPAC(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H27N3O4S/c1-4-9-18-17(21)14(2)19-10-12-20(13-11-19)25(22,23)16-7-5-15(24-3)6-8-16/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyGKTFVJXXCPQJDV-CQSZACIVSA-N
MW369.49 g/mol
LogP0.92
Rot. Bonds7

About (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide

(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide (PubChem CID 9493027) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
PubChem CID9493027
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H27N3O4S/c1-4-9-18-17(21)14(2)19-10-12-20(13-11-19)25(22,23)16-7-5-15(24-3)6-8-16/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyGKTFVJXXCPQJDV-CQSZACIVSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9492812
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 9493871
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 40819018
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
(2R)-N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 26709367
N-[(4-methoxyphenyl)methyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 166434953
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46630712
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 41168914
N-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 17499638
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
(2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8688391

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The IUPAC name of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide (CID 9493027) is (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide is CCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The InChIKey is GKTFVJXXCPQJDV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-9-18-17(21)14(2)19-10-12-20(13-11-19)25(22,23)16-7-5-15(24-3)6-8-16/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide has a molecular weight of 369.49 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 9493027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).