methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate

C19H25N3O4S2 — CID 39663609

IUPACmethyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H25N3O4S2/c1-15(21-9-11-22(12-10-21)16-6-4-3-5-7-16)14-20-28(24,25)17-8-13-27-18(17)19(23)26-2/h3-8,13,15,20H,9-12,14H2,1-2H3/t15-/m0/s1
InChIKeyCCIWXYDFZNZXTI-HNNXBMFYSA-N
MW423.56 g/mol
LogP2.02
Rot. Bonds7

About methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 39663609) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID39663609
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Namemethyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H25N3O4S2/c1-15(21-9-11-22(12-10-21)16-6-4-3-5-7-16)14-20-28(24,25)17-8-13-27-18(17)19(23)26-2/h3-8,13,15,20H,9-12,14H2,1-2H3/t15-/m0/s1
InChIKeyCCIWXYDFZNZXTI-HNNXBMFYSA-N
XLogP2.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate with MolForge

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Related Compounds

2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42960746
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
methyl 3-[(1-pyridin-4-ylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 121108182
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55694978
methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate
CID 90625207
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
CID 60532275
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide
CID 42960750
methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
CID 3761777
methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
CID 42926829
methyl 3-[4-(4-ethoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 3796308

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate (CID 39663609) is methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is CCIWXYDFZNZXTI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-15(21-9-11-22(12-10-21)16-6-4-3-5-7-16)14-20-28(24,25)17-8-13-27-18(17)19(23)26-2/h3-8,13,15,20H,9-12,14H2,1-2H3/t15-/m0/s1.
What are the key properties of methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 423.56 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 39663609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).