N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide

C23H32N4O4S — CID 42708187

IUPACN-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1C
InChIInChI=1S/C23H32N4O4S/c1-5-24-23(29)27-13-12-26(15-17(27)4)22(28)21(16(2)3)25-32(30,31)20-11-10-18-8-6-7-9-19(18)14-20/h6-11,14,16-17,21,25H,5,12-13,15H2,1-4H3,(H,24,29)
InChIKeyKAGHHULAVHYJSA-UHFFFAOYSA-N
MW460.60 g/mol
LogP2.40
Rot. Bonds6

About N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide

N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide (PubChem CID 42708187) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide
PubChem CID42708187
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1C
InChIInChI=1S/C23H32N4O4S/c1-5-24-23(29)27-13-12-26(15-17(27)4)22(28)21(16(2)3)25-32(30,31)20-11-10-18-8-6-7-9-19(18)14-20/h6-11,14,16-17,21,25H,5,12-13,15H2,1-4H3,(H,24,29)
InChIKeyKAGHHULAVHYJSA-UHFFFAOYSA-N
XLogP2.40
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 42706723
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CID 24640818
N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
CID 41273552
N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
CID 24643512
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
N-(1-ethylpiperidin-4-yl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 42945663
(2S)-N-(1-ethylpiperidin-4-yl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 36815103
N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
CID 42724995
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide (CID 42708187) is N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1C.
What is the InChIKey of N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide?
The InChIKey is KAGHHULAVHYJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-5-24-23(29)27-13-12-26(15-17(27)4)22(28)21(16(2)3)25-32(30,31)20-11-10-18-8-6-7-9-19(18)14-20/h6-11,14,16-17,21,25H,5,12-13,15H2,1-4H3,(H,24,29).
What are the key properties of N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide?
N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 42708187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).