2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide

C12H17N3O3S2 — CID 106268960

IUPAC2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H17N3O3S2/c1-9(2)7-14-11(16)8-15(3)20(17,18)12-5-4-10(6-13)19-12/h4-5,9H,7-8H2,1-3H3,(H,14,16)
InChIKeySRICHYPRDCWROQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.01
Rot. Bonds6

About 2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide

2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 106268960) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID106268960
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H17N3O3S2/c1-9(2)7-14-11(16)8-15(3)20(17,18)12-5-4-10(6-13)19-12/h4-5,9H,7-8H2,1-3H3,(H,14,16)
InChIKeySRICHYPRDCWROQ-UHFFFAOYSA-N
XLogP1.01
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propan-2-ylamino]acetate
CID 106267874
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213
5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 106269325
5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 106266702
2-[(4-bromo-3-fluorophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107650373
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542
5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 106267326

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide (CID 106268960) is 2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is SRICHYPRDCWROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-9(2)7-14-11(16)8-15(3)20(17,18)12-5-4-10(6-13)19-12/h4-5,9H,7-8H2,1-3H3,(H,14,16).
What are the key properties of 2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide?
2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106268960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).