(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

C23H25N3O4S2 — CID 2399708

IUPAC(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C23H25N3O4S2/c1-18(25-13-15-26(16-14-25)32(28,29)22-8-5-17-31-22)23(27)24-19-9-11-21(12-10-19)30-20-6-3-2-4-7-20/h2-12,17-18H,13-16H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyIKFSRSLQOWCGHG-SFHVURJKSA-N
MW471.60 g/mol
LogP3.87
Rot. Bonds7

About (2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide (PubChem CID 2399708) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is (2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
PubChem CID2399708
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C23H25N3O4S2/c1-18(25-13-15-26(16-14-25)32(28,29)22-8-5-17-31-22)23(27)24-19-9-11-21(12-10-19)30-20-6-3-2-4-7-20/h2-12,17-18H,13-16H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyIKFSRSLQOWCGHG-SFHVURJKSA-N
XLogP3.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 2399709
N-(4-phenoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
CID 2502086
(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 31375794
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492975
(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492888
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 41123999
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680288
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 8512070
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680298
N-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 3497946
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46630712
(2S)-N-(3-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 8745319

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide (CID 2399708) is (2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide is C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is IKFSRSLQOWCGHG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-18(25-13-15-26(16-14-25)32(28,29)22-8-5-17-31-22)23(27)24-19-9-11-21(12-10-19)30-20-6-3-2-4-7-20/h2-12,17-18H,13-16H2,1H3,(H,24,27)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 471.60 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 2399708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).