N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide

C13H21ClN2O3S2 — CID 113056910

IUPACN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(Cl)s1)CCC(C)C
InChIInChI=1S/C13H21ClN2O3S2/c1-10(2)6-8-16(11(3)17)9-7-15-21(18,19)13-5-4-12(14)20-13/h4-5,10,15H,6-9H2,1-3H3
InChIKeyXGLRLHZMSGWOGY-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.57
Rot. Bonds8

About N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide

N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide (PubChem CID 113056910) has the molecular formula C13H21ClN2O3S2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
PubChem CID113056910
Molecular FormulaC13H21ClN2O3S2
Molecular Weight352.91 g/mol
Exact Mass352.07
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(Cl)s1)CCC(C)C
InChIInChI=1S/C13H21ClN2O3S2/c1-10(2)6-8-16(11(3)17)9-7-15-21(18,19)13-5-4-12(14)20-13/h4-5,10,15H,6-9H2,1-3H3
InChIKeyXGLRLHZMSGWOGY-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056884
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056923
N-(3-methylbutyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113056893
N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056912
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
CID 113064685
5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide
CID 4996654
N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide
CID 119498376
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
CID 113053362
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
N-(2-bromo-3-ethylpentyl)-5-chlorothiophene-2-sulfonamide
CID 106288687
2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 86780843
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide (CID 113056910) is N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(Cl)s1)CCC(C)C.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
The InChIKey is XGLRLHZMSGWOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S2/c1-10(2)6-8-16(11(3)17)9-7-15-21(18,19)13-5-4-12(14)20-13/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide?
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide has a molecular weight of 352.91 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113056910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).