propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate

C14H23NO4S2 — CID 58942892

IUPACpropyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate
SMILESCCCCS(=O)(=O)NCc1ccc(CC(=O)OCCC)s1
InChIInChI=1S/C14H23NO4S2/c1-3-5-9-21(17,18)15-11-13-7-6-12(20-13)10-14(16)19-8-4-2/h6-7,15H,3-5,8-11H2,1-2H3
InChIKeyPDNMGAYVXCVBLV-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.46
Rot. Bonds10

About propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate

propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate (PubChem CID 58942892) has the molecular formula C14H23NO4S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate
PubChem CID58942892
Molecular FormulaC14H23NO4S2
Molecular Weight333.48 g/mol
Exact Mass333.11
IUPAC Namepropyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate
SMILESCCCCS(=O)(=O)NCc1ccc(CC(=O)OCCC)s1
InChIInChI=1S/C14H23NO4S2/c1-3-5-9-21(17,18)15-11-13-7-6-12(20-13)10-14(16)19-8-4-2/h6-7,15H,3-5,8-11H2,1-2H3
InChIKeyPDNMGAYVXCVBLV-UHFFFAOYSA-N
XLogP2.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65395765
4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid
CID 106003812
N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
CID 47071854
2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65375313
N-[(5-ethylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 106013665
N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide
CID 22207904
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide
CID 90612640
propyl 2-(4-butylphenyl)acetate
CID 112724824
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide
CID 110322872
methyl 4-[(4,5-dimethylthiophen-2-yl)methylsulfamoyl]butanoate
CID 65246530
N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide
CID 110783047
methyl 2-[5-[(4-methoxybutylamino)methyl]thiophen-2-yl]acetate
CID 82894149

Frequently Asked Questions

What is the IUPAC name of propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate?
The IUPAC name of propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate (CID 58942892) is propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate is CCCCS(=O)(=O)NCc1ccc(CC(=O)OCCC)s1.
What is the InChIKey of propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate?
The InChIKey is PDNMGAYVXCVBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S2/c1-3-5-9-21(17,18)15-11-13-7-6-12(20-13)10-14(16)19-8-4-2/h6-7,15H,3-5,8-11H2,1-2H3.
What are the key properties of propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate?
propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate has a molecular weight of 333.48 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 58942892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).