N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide

C16H21N5O5S2 — CID 23800292

IUPACN-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2C(=O)NCCN)no1
InChIInChI=1S/C16H21N5O5S2/c1-11-9-12(19-26-11)16(23)21-7-6-20(10-13(21)15(22)18-5-4-17)28(24,25)14-3-2-8-27-14/h2-3,8-9,13H,4-7,10,17H2,1H3,(H,18,22)
InChIKeyGBVRYDIIXRRYNU-UHFFFAOYSA-N
MW427.51 g/mol
LogP-0.37
Rot. Bonds6

About N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide

N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide (PubChem CID 23800292) has the molecular formula C16H21N5O5S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide
PubChem CID23800292
Molecular FormulaC16H21N5O5S2
Molecular Weight427.51 g/mol
Exact Mass427.10
IUPAC NameN-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2C(=O)NCCN)no1
InChIInChI=1S/C16H21N5O5S2/c1-11-9-12(19-26-11)16(23)21-7-6-20(10-13(21)15(22)18-5-4-17)28(24,25)14-3-2-8-27-14/h2-3,8-9,13H,4-7,10,17H2,1H3,(H,18,22)
InChIKeyGBVRYDIIXRRYNU-UHFFFAOYSA-N
XLogP-0.37
TPSA138.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide
CID 23987636
[3a-[(dimethylamino)methyl]-5-thiophen-2-ylsulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 138387622
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492975
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
(2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
CID 23800165
2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide
CID 23884181
phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate
CID 23829360
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 49082877
(3S)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38017869
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43917011

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide (CID 23800292) is N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide is Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2C(=O)NCCN)no1.
What is the InChIKey of N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide?
The InChIKey is GBVRYDIIXRRYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O5S2/c1-11-9-12(19-26-11)16(23)21-7-6-20(10-13(21)15(22)18-5-4-17)28(24,25)14-3-2-8-27-14/h2-3,8-9,13H,4-7,10,17H2,1H3,(H,18,22).
What are the key properties of N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide?
N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 23800292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).