N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide

C12H17Cl2NO3S2 — CID 75457383

IUPACN-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
SMILESCC(C)(C)N(CCS(C)(=O)=O)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H17Cl2NO3S2/c1-12(2,3)15(5-6-20(4,17)18)11(16)8-7-9(13)19-10(8)14/h7H,5-6H2,1-4H3
InChIKeyZVVQDZADFHBTHK-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.34
Rot. Bonds4

About N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide

N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide (PubChem CID 75457383) has the molecular formula C12H17Cl2NO3S2 and a molecular weight of 358.31 g/mol. Its IUPAC name is N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
PubChem CID75457383
Molecular FormulaC12H17Cl2NO3S2
Molecular Weight358.31 g/mol
Exact Mass357.00
IUPAC NameN-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
SMILESCC(C)(C)N(CCS(C)(=O)=O)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H17Cl2NO3S2/c1-12(2,3)15(5-6-20(4,17)18)11(16)8-7-9(13)19-10(8)14/h7H,5-6H2,1-4H3
InChIKeyZVVQDZADFHBTHK-UHFFFAOYSA-N
XLogP3.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-Dichlorothiophen-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone
CID 71888730
2,5-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78865458
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide
CID 17407950
Butyl-(2-chlorothiophene-3-carbonyl)azanide;yttrium
CID 157924173
5-Chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 171546135
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-ethylthiophene-3-carboxamide
CID 16233820
(2,5-Dichlorothiophen-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 32089906
2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide
CID 36905662
N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 38819775
2,5-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-3-carboxamide
CID 45795089
(2,5-Dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122998
2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide
CID 47157012

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
The IUPAC name of N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide (CID 75457383) is N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
The canonical SMILES for N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide is CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
The InChIKey is ZVVQDZADFHBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3S2/c1-12(2,3)15(5-6-20(4,17)18)11(16)8-7-9(13)19-10(8)14/h7H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide has a molecular weight of 358.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 75457383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).