(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide

C12H24N4O4S — CID 94418975

IUPAC(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H24N4O4S/c1-4-13-12(18)14-11(17)10(3)15-6-8-16(9-7-15)21(19,20)5-2/h10H,4-9H2,1-3H3,(H2,13,14,17,18)/t10-/m1/s1
InChIKeyAQBHSOIGFAQBRV-SNVBAGLBSA-N
MW320.42 g/mol
LogP-0.81
Rot. Bonds5

About (2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide

(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide (PubChem CID 94418975) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide
PubChem CID94418975
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H24N4O4S/c1-4-13-12(18)14-11(17)10(3)15-6-8-16(9-7-15)21(19,20)5-2/h10H,4-9H2,1-3H3,(H2,13,14,17,18)/t10-/m1/s1
InChIKeyAQBHSOIGFAQBRV-SNVBAGLBSA-N
XLogP-0.81
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 94418958
N-(ethylcarbamoyl)-2-piperazin-1-ylpropanamide
CID 43089574
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 46563112
N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46614180
(2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 95269319
N-(ethylcarbamoyl)-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282323
methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60638894
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(ethylcarbamoyl)propanamide
CID 43252708
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 51094827
(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 94812868
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)propanamide
CID 11931790
N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950768

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide (CID 94418975) is (2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide is CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of (2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is AQBHSOIGFAQBRV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N4O4S/c1-4-13-12(18)14-11(17)10(3)15-6-8-16(9-7-15)21(19,20)5-2/h10H,4-9H2,1-3H3,(H2,13,14,17,18)/t10-/m1/s1.
What are the key properties of (2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide?
(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 320.42 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 94418975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).