(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide

C20H27N3O3S — CID 9113402

IUPAC(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H27N3O3S/c1-15(2)21-20(24)16(3)22-10-12-23(13-11-22)27(25,26)19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14-16H,10-13H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyIZQAMGLIUKULPK-INIZCTEOSA-N
MW389.52 g/mol
LogP2.06
Rot. Bonds5

About (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide

(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 9113402) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide
PubChem CID9113402
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H27N3O3S/c1-15(2)21-20(24)16(3)22-10-12-23(13-11-22)27(25,26)19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14-16H,10-13H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyIZQAMGLIUKULPK-INIZCTEOSA-N
XLogP2.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 9493871
(2R)-1-(azepan-1-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 9493876
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylpropanamide
CID 60516391
N-[(4-methoxyphenyl)methyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 166434953
(2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 2102796
1-[(2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8692349
(2R)-N-tert-butyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9493856
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 41093099
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone
CID 112769581
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide (CID 9113402) is (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is IZQAMGLIUKULPK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(2)21-20(24)16(3)22-10-12-23(13-11-22)27(25,26)19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14-16H,10-13H2,1-3H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide?
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 389.52 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 9113402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).