2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide

C10H15ClN2O3S2 — CID 78786909

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(Cl)s1)C(N)=O
InChIInChI=1S/C10H15ClN2O3S2/c1-3-6(2)9(10(12)14)13-18(15,16)8-5-4-7(11)17-8/h4-6,9,13H,3H2,1-2H3,(H2,12,14)
InChIKeySYYUFYHRRCFXLE-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.58
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide

2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide (PubChem CID 78786909) has the molecular formula C10H15ClN2O3S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
PubChem CID78786909
Molecular FormulaC10H15ClN2O3S2
Molecular Weight310.83 g/mol
Exact Mass310.02
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(Cl)s1)C(N)=O
InChIInChI=1S/C10H15ClN2O3S2/c1-3-6(2)9(10(12)14)13-18(15,16)8-5-4-7(11)17-8/h4-6,9,13H,3H2,1-2H3,(H2,12,14)
InChIKeySYYUFYHRRCFXLE-UHFFFAOYSA-N
XLogP1.58
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
CID 66930253
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
CID 77038493
(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
CID 95567579
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 87451510
5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide
CID 66929976
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
5-chloro-N-[(E,3S)-5-hydroxy-3-methyldec-7-en-4-yl]thiophene-2-sulfonamide
CID 68699296
5-chloro-N-[(3S,4R)-5-hydroxy-3-methyldec-7-en-4-yl]thiophene-2-sulfonamide
CID 68699299
5-chloro-N-[(E,3S,4S,5R)-5-hydroxy-3-methyldec-7-en-4-yl]thiophene-2-sulfonamide
CID 87542796
3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258327
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide (CID 78786909) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide is CCC(C)C(NS(=O)(=O)c1ccc(Cl)s1)C(N)=O.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide?
The InChIKey is SYYUFYHRRCFXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S2/c1-3-6(2)9(10(12)14)13-18(15,16)8-5-4-7(11)17-8/h4-6,9,13H,3H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide?
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide has a molecular weight of 310.83 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide is sourced from PubChem (CID 78786909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).