phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate

C17H20N4O5S2 — CID 23829360

IUPACphenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate
SMILESNCCNC(=O)C1N(C(=O)Oc2ccccc2)CCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N4O5S2/c18-8-9-19-15(22)16-20(17(23)26-13-5-2-1-3-6-13)10-11-21(16)28(24,25)14-7-4-12-27-14/h1-7,12,16H,8-11,18H2,(H,19,22)
InChIKeyRABDGBXOSZPJRZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP0.65
Rot. Bonds6

About phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate

phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate (PubChem CID 23829360) has the molecular formula C17H20N4O5S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate
PubChem CID23829360
Molecular FormulaC17H20N4O5S2
Molecular Weight424.50 g/mol
Exact Mass424.09
IUPAC Namephenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate
SMILESNCCNC(=O)C1N(C(=O)Oc2ccccc2)CCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N4O5S2/c18-8-9-19-15(22)16-20(17(23)26-13-5-2-1-3-6-13)10-11-21(16)28(24,25)14-7-4-12-27-14/h1-7,12,16H,8-11,18H2,(H,19,22)
InChIKeyRABDGBXOSZPJRZ-UHFFFAOYSA-N
XLogP0.65
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide
CID 23884181
N-(2-aminoethyl)-1-(2,4-dichlorobenzoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide
CID 23935618
2-N-(2-aminoethyl)-1-N-(3-chlorophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide
CID 23847776
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
CID 23798658
3-cyclohexyl-3-[[1-(3-methoxybenzoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid
CID 23879126
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide
CID 23800292
N-[[3-(aminomethyl)phenyl]methyl]-1-(3,4-dichlorophenyl)sulfonyl-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide
CID 23799188
2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
CID 23764422
N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 56586345

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate?
The IUPAC name of phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate (CID 23829360) is phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate?
The canonical SMILES for phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate is NCCNC(=O)C1N(C(=O)Oc2ccccc2)CCN1S(=O)(=O)c1cccs1.
What is the InChIKey of phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate?
The InChIKey is RABDGBXOSZPJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S2/c18-8-9-19-15(22)16-20(17(23)26-13-5-2-1-3-6-13)10-11-21(16)28(24,25)14-7-4-12-27-14/h1-7,12,16H,8-11,18H2,(H,19,22).
What are the key properties of phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate?
phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate is sourced from PubChem (CID 23829360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).