N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide

C12H20N2O3S2 — CID 64723560

IUPACN-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESCC(C)C(C)CNC(=O)Cc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C12H20N2O3S2/c1-8(2)9(3)7-14-11(15)6-10-4-5-12(18-10)19(13,16)17/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyIVSBMBHUVKPIAI-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.35
Rot. Bonds6

About N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide

N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide (PubChem CID 64723560) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
PubChem CID64723560
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESCC(C)C(C)CNC(=O)Cc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C12H20N2O3S2/c1-8(2)9(3)7-14-11(15)6-10-4-5-12(18-10)19(13,16)17/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyIVSBMBHUVKPIAI-UHFFFAOYSA-N
XLogP1.35
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65368095
N-pentan-2-yl-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 47166864
2-(5-sulfamoylthiophen-2-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 65386753
methyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 60753569
N-(2-methylbutan-2-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 39007502
(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119270466
2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60758764
N-[2-(2,2-difluoroethoxy)ethyl]-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 103082307
N-(4-ethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60759072
N-(4,4-dimethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 65382614
N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide
CID 154835109
N-(1-methoxybutan-2-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 64689300

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
The IUPAC name of N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide (CID 64723560) is N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide is CC(C)C(C)CNC(=O)Cc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
The InChIKey is IVSBMBHUVKPIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-8(2)9(3)7-14-11(15)6-10-4-5-12(18-10)19(13,16)17/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide is sourced from PubChem (CID 64723560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).