tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

C15H24ClNO5S2 — CID 3690889

IUPACtert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(C)(C)OCC(NS(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24ClNO5S2/c1-14(2,3)21-9-10(13(18)22-15(4,5)6)17-24(19,20)12-8-7-11(16)23-12/h7-8,10,17H,9H2,1-6H3
InChIKeyUAVRVCGYVSXLBQ-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.21
Rot. Bonds6

About tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 3690889) has the molecular formula C15H24ClNO5S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID3690889
Molecular FormulaC15H24ClNO5S2
Molecular Weight397.95 g/mol
Exact Mass397.08
IUPAC Nametert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(C)(C)OCC(NS(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24ClNO5S2/c1-14(2,3)21-9-10(13(18)22-15(4,5)6)17-24(19,20)12-8-7-11(16)23-12/h7-8,10,17H,9H2,1-6H3
InChIKeyUAVRVCGYVSXLBQ-UHFFFAOYSA-N
XLogP3.21
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetate
CID 53529525
5-Chlorothiophene-2-sulfonyl isoleucine methyl ester
CID 21356111
Methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanoate
CID 22500926
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61141184
N-[(5-chloro-2-thienyl)sulfonyl]-3-ethyl-L-norvaline methyl ester
CID 66929843
3-(5-Chloro-thiophene-2-sulfonylamino)-propionic acid tert-butyl ester
CID 69509793
3-(5-Chloro-thiophene-2-sulfonylamino)-propionic acid butyl ester
CID 69511282
methyl (2S)-2-[(5-chloro-2-thienyl)sulfonylamino]-3-hydroxy-propanoate
CID 90392794
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxy-2-methylpropanoic acid
CID 141415786
Ethyl 2-amino-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]propanoate
CID 155389378
2-Propoxyethyl 2-amino-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]propanoate
CID 155389570
3-[(5-Chlorothiophen-2-yl)sulfonylamino]butyl propanoate
CID 174520859

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 3690889) is tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate is CC(C)(C)OCC(NS(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is UAVRVCGYVSXLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO5S2/c1-14(2,3)21-9-10(13(18)22-15(4,5)6)17-24(19,20)12-8-7-11(16)23-12/h7-8,10,17H,9H2,1-6H3.
What are the key properties of tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 397.95 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 3690889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).