N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide

C14H23NO3S2 — CID 56789336

IUPACN-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
SMILESCc1cc(C(NC(=O)C(C)S(C)(=O)=O)C(C)C)c(C)s1
InChIInChI=1S/C14H23NO3S2/c1-8(2)13(12-7-9(3)19-10(12)4)15-14(16)11(5)20(6,17)18/h7-8,11,13H,1-6H3,(H,15,16)
InChIKeyZCIHQAXXFFCSSD-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.61
Rot. Bonds5

About N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide

N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide (PubChem CID 56789336) has the molecular formula C14H23NO3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
PubChem CID56789336
Molecular FormulaC14H23NO3S2
Molecular Weight317.48 g/mol
Exact Mass317.11
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
SMILESCc1cc(C(NC(=O)C(C)S(C)(=O)=O)C(C)C)c(C)s1
InChIInChI=1S/C14H23NO3S2/c1-8(2)13(12-7-9(3)19-10(12)4)15-14(16)11(5)20(6,17)18/h7-8,11,13H,1-6H3,(H,15,16)
InChIKeyZCIHQAXXFFCSSD-UHFFFAOYSA-N
XLogP2.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
N-(2-methylcyclohexyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3240713
1-(ethylsulfonyl)-N-(thien-2-ylmethyl)piperidine-4-carboxamide
CID 3241452
3-[(4-methylbenzyl)sulfonyl]-N-(thien-2-ylmethyl)propanamide
CID 3241727
N-(4-methylcyclohexyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3243680
N-[(4-Methylphenyl)methyl]-4-(methylsulfanyl)-2-(thiophene-2-sulfonamido)butanamide
CID 9551096
N-benzyl-3-[(2-thienylsulfonyl)amino]propanamide
CID 9551483
N-[(4-Methylphenyl)methyl]-3-(thiophene-2-sulfonamido)propanamide
CID 9551485
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
N-(1-Thiophen-2-yl-ethyl)-2-(toluene-4-sulfonylamino)-propionamide
CID 24792565
3-Methyl-N-[(4-methylphenyl)methyl]-2-(thiophene-2-sulfonamido)butanamide
CID 11957243
N-[3-(propylthio)propyl]-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3237887

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide (CID 56789336) is N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide is Cc1cc(C(NC(=O)C(C)S(C)(=O)=O)C(C)C)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide?
The InChIKey is ZCIHQAXXFFCSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S2/c1-8(2)13(12-7-9(3)19-10(12)4)15-14(16)11(5)20(6,17)18/h7-8,11,13H,1-6H3,(H,15,16).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide?
N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide has a molecular weight of 317.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 56789336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).