N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide

C15H20N2O4S3 — CID 46991742

IUPACN-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCCC(CO)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C15H20N2O4S3/c1-2-12(11-18)17(10-13-5-3-7-22-13)14(19)9-16-24(20,21)15-6-4-8-23-15/h3-8,12,16,18H,2,9-11H2,1H3
InChIKeyDBCHDTTVFWYQHZ-UHFFFAOYSA-N
MW388.54 g/mol
LogP1.89
Rot. Bonds9

About N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide

N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 46991742) has the molecular formula C15H20N2O4S3 and a molecular weight of 388.54 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID46991742
Molecular FormulaC15H20N2O4S3
Molecular Weight388.54 g/mol
Exact Mass388.06
IUPAC NameN-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCCC(CO)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C15H20N2O4S3/c1-2-12(11-18)17(10-13-5-3-7-22-13)14(19)9-16-24(20,21)15-6-4-8-23-15/h3-8,12,16,18H,2,9-11H2,1H3
InChIKeyDBCHDTTVFWYQHZ-UHFFFAOYSA-N
XLogP1.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide (CID 46991742) is N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide is CCC(CO)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is DBCHDTTVFWYQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S3/c1-2-12(11-18)17(10-13-5-3-7-22-13)14(19)9-16-24(20,21)15-6-4-8-23-15/h3-8,12,16,18H,2,9-11H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 388.54 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 46991742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).