N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide

C11H18N2O3S2 — CID 56751582

IUPACN-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide
SMILESCC(c1cccs1)N(C)C(=O)CCCS(N)(=O)=O
InChIInChI=1S/C11H18N2O3S2/c1-9(10-5-3-7-17-10)13(2)11(14)6-4-8-18(12,15)16/h3,5,7,9H,4,6,8H2,1-2H3,(H2,12,15,16)
InChIKeyLYXTZHPCSYNTCO-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.34
Rot. Bonds6

About N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide

N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide (PubChem CID 56751582) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide
PubChem CID56751582
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide
SMILESCC(c1cccs1)N(C)C(=O)CCCS(N)(=O)=O
InChIInChI=1S/C11H18N2O3S2/c1-9(10-5-3-7-17-10)13(2)11(14)6-4-8-18(12,15)16/h3,5,7,9H,4,6,8H2,1-2H3,(H2,12,15,16)
InChIKeyLYXTZHPCSYNTCO-UHFFFAOYSA-N
XLogP1.34
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120609150
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689
N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide
CID 24552645
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 107025959
2-(1-aminocyclohexyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64678950
4-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 54981184
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide?
The IUPAC name of N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide (CID 56751582) is N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide?
The canonical SMILES for N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide is CC(c1cccs1)N(C)C(=O)CCCS(N)(=O)=O.
What is the InChIKey of N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide?
The InChIKey is LYXTZHPCSYNTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-9(10-5-3-7-17-10)13(2)11(14)6-4-8-18(12,15)16/h3,5,7,9H,4,6,8H2,1-2H3,(H2,12,15,16).
What are the key properties of N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide?
N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide has a molecular weight of 290.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 56751582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).